SCHEMBL1179412

SCHEMBL1179412

COC(=O)c1ccc(OC)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
KDM4E B2RXH2 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
NR4A2 P43354 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 4/20 0.51
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 3/20 0.49
GLA P06280 2/20 0.49

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
SCHEMBL6181669 0.90 CA1 (0.55) HTTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL146258 0.85 KDM4E (0.62) HTTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL29502160 0.85 KDM4E (0.62) HTTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5944070 0.85 HTT (0.58) HTTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL382822 0.84 KDM4E (0.66) HTTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL11804424 0.84 HTT (0.62) HTTKDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL23540433 0.84 KDM4E (0.51) HTTKDM4ECA1CA2NPC1
SCHEMBL516908 0.84 KDM4E (0.45) HTTKDM4ECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL28744755 0.84 KDM4E (0.49) HTTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL3481769 0.84 HPGD (0.58) HTTKDM4ECA1CA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310094-A1 METHOD FOR PRODUCING AMINO ACID OR PEPTIDE, REAGENT FOR FORMING PROTECTING GROUP, AND COMPOUND FUJIFILM Corporation (JP) 2024-01-24 EP disclosed
US-20240002432-A1 METHOD FOR PRODUCING AMINO ACID OR PEPTIDE, PROTECTIVE GROUP-FORMING REAGENT, AND COMPOUND FUJIFILM CORPORATION (JP) 2024-01-04 US disclosed
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
CN-116997559-A Method for producing amino acid or peptide, reagent for forming protecting group, and compound 富士胶片株式会社 2023-11-03 CN disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20220339302-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2022-10-27 US disclosed
US-10927104-B2 Ether compounds and uses thereof BIOTHERYX, INC. (US) 2021-02-23 US disclosed
US-20200231582-A1 ETHER COMPOUNDS AND USES THEREOF BIOTHERYX, INC. 2020-07-23 US disclosed
EP-3672955-A1 ETHER COMPOUNDS AND USES THEREOF Biotheryx Inc. (US) 2020-07-01 EP disclosed
US-6846832-B2 2,3-dihydro-isoindol-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-25 US disclosed
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives HOFFMANN-LA ROCHE INC. 2004-04-29 US disclosed
WO-2004014856-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO disclosed
WO-2004014856-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP disclosed
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed
US-4444567-A ALKOXY BENZALDEHYDES, ALKOXY BENZOATES PHILLIPS PETROLEUM COMPANY (US) 1984-04-24 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 (8 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-10927104-B2 Ether compounds and uses thereof EPCAM, ICAM1, SELE HTT 1328/4885KDM4E 1455/4885CYP1A2 3444/4885
US-20240002432-A1 METHOD FOR PRODUCING AMINO ACID OR PEPTIDE, PROTECTIVE GROUP-FORMING REAGENT, AND COMPOUND NGLY1, VIP, FPR1 HTT 951/4885KDM4E 4661/4885CYP1A2 3708/4885
US-20220339302-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 HTT 1/4885KDM4E 4701/4885CYP1A2 4845/4885
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives MAOB, MAOA, COMT HTT 602/4885KDM4E 2782/4885CYP1A2 4/4885
US-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTT 4761/4885KDM4E 2058/4885CYP1A2 271/4885
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT HTT 788/4885KDM4E 3545/4885CYP1A2 1125/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC HTT 3790/4885KDM4E 1763/4885CYP1A2 4095/4885
US-20200231582-A1 ETHER COMPOUNDS AND USES THEREOF EPCAM, ICAM1, SELE HTT 1328/4885KDM4E 1455/4885CYP1A2 3444/4885

“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.