SCHEMBL6002968

SCHEMBL6002968

CCOC(=O)Nc1ccc(C(C)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
HPGD P15428 3/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NAMPT P43490 1/20 0.54
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7565510 0.89 RAB9A (0.71) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL10941324 0.86 NAMPT (0.69) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL10668920 0.86 RAB9A (0.64) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL2228878 0.85 MEN1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL19390510 0.85 SMN1; SMN2 (0.67) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL15127704 0.84 RAB9A (0.58) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL25845708 0.84 SMN1; SMN2 (0.77) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL5636399 0.84 RAB9A (0.72) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL4129868 0.84 RAB9A (0.58) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL29893174 0.83 RAB9A (0.76) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220513-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-11 US disclosed
US-11155562-B2 Synthesis of halichondrin analogs and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-10-26 US disclosed
US-20210009605-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-01-14 US disclosed
US-20200223863-A1 SYNTHESIS OF HALICHONDRIN ANALOGS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-07-16 US disclosed
US-10633392-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-04-28 US disclosed
US-10556910-B2 Synthesis of halichondrin analogs and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-02-11 US disclosed
US-20200031843-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-01-30 US disclosed
US-10344038-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-07-09 US disclosed
US-20170137437-A1 SYNTHESIS OF HALICHONDRIN ANALOGS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-18 US disclosed
EP-3160970-A1 SYNTHESIS OF HALICHONDRIN ANALOGS AND USES THEREOF President and Fellows of Harvard College (US) 2017-05-03 EP disclosed
WO-2007037539-A1 CELLULOSE DERIVATIVE FILM, OPTICAL COMPENSATION FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DEVICE FUJIFILM CORPORATION (JP) 2007-04-05 WO disclosed
WO-2007023990-A1 LIQUID CRYSTAL DISPLAY DEVICE FUJI FILM CORPORATION (JP) 2007-03-01 WO disclosed
US-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 WO disclosed
US-4487713-A HEAT TREATMENT WITH TITANIUM, TIN, ANTIMONY OR ZIRCONIUM COMPOUND EXXON RESEARCH & ENGINEERING CO. (US) 1984-12-11 US disclosed
US-4081472-A CATALYTIC, FROM A CARBAMATE MITSUI TOATSU CHEMICALS INC. (JA) 1978-03-28 US disclosed
US-4069240-A GROUP 8 METAL CATALYST UNIROYAL, INC. (US) 1978-01-17 US disclosed
US-4010191-A Acyl derivatives of substituted bis-arylalkylamino compounds DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-03-01 US disclosed
US-3962302-A Production of isocyanates from esters of carbamic acids (urethanes) ATLANTIC RICHFIELD COMPANY (US) 1976-06-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170137437-A1 SYNTHESIS OF HALICHONDRIN ANALOGS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KIF5C, KIF23 RAB9A 2252/4885NPC1 499/4885HPGD 1448/4885
US-11220513-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 RAB9A 4411/4885NPC1 1914/4885HPGD 1277/4885
US-20200223863-A1 SYNTHESIS OF HALICHONDRIN ANALOGS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KIF5C, KIF23 RAB9A 2252/4885NPC1 499/4885HPGD 1448/4885
US-11155562-B2 Synthesis of halichondrin analogs and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KIF5C, KIF23 RAB9A 2252/4885NPC1 499/4885HPGD 1448/4885
US-10344038-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 RAB9A 1788/4885NPC1 1646/4885HPGD 1496/4885
US-20210009605-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 RAB9A 4411/4885NPC1 1914/4885HPGD 1277/4885
US-10633392-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 RAB9A 1788/4885NPC1 1646/4885HPGD 1496/4885
US-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 RAB9A 1478/4885NPC1 237/4885HPGD 1643/4885
US-20200031843-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 RAB9A 4411/4885NPC1 1914/4885HPGD 1277/4885
US-10556910-B2 Synthesis of halichondrin analogs and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KIF5C, KIF23 RAB9A 2252/4885NPC1 499/4885HPGD 1448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.