SCHEMBL3267842

SCHEMBL3267842

CC(C)Oc1ccc2ccccc2c1C=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ERN1 O75460 2/20 0.50
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MCHR1 Q99705 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP3A4 P08684 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL16309562 0.83 MAPT (0.71) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL11273206 0.83 MAPT (0.71) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL2563368 0.83 CYP1A2 (0.71) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL2556427 0.82 MAPT (0.69) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL1002660 0.81 MAPT (0.68) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL29708058 0.81 MAPT (0.68) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL16307957 0.81 MAPT (0.68) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL15330210 0.80 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL22219381 0.80 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL1667627 0.79 MAPT (0.65) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 CN disclosed
CN-110384689-A The purposes of aromatic nitro ethylene compounds 厦门大学 2019-10-29 CN disclosed
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 EP disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 US disclosed
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES HOFFMAN-LA ROCHE INC. (US) 2015-12-10 US disclosed
EP-2872490-A1 ANTIPROLIFERATIVE BENZO [B]AZEPIN- 2 - ONES F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
CN-104507913-A Antiproliferative benzo[b]azepin-2-ones HOFFMANN LA ROCHE 2015-04-08 CN disclosed
WO-2014009495-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
CN-101300244-A Novel cercosporamide derivative DAIICHI SANKYO CO LTD (JP) 2008-11-05 CN disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP disclosed
US-4061547-A SUBSTITUTED NAPHTHALENE CARBOXALDEHYDE COLUMBIA CHEMICAL CORPORATION (US) 1977-12-06 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 (2 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 MAPT 4836/4885CYP1A2 972/4885CYP2C9 2028/4885
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES CCNY, RB1, TOP2B MAPT 4882/4885CYP1A2 2008/4885CYP2C9 3589/4885

“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.