SCHEMBL7938899

SCHEMBL7938899

Cc1ccc2c(c1)COCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.40
MAPT P10636 8/20 0.38
ALDH1A1 P00352 6/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 2/20 0.37
CASP1 P29466 2/20 0.37
HBB P68871 2/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL90933 0.84 MMP12 (0.36) MMP12MAPTALDH1A1GAAHSD17B10
SCHEMBL15761051 0.83
SCHEMBL8281886 0.82 MAPT (0.44) MMP12MAPTALDH1A1GAAHSD17B10
SCHEMBL12748562 0.81 ALDH1A1 (0.40) MMP12MAPTALDH1A1GAAHSD17B10
SCHEMBL9518303 0.76 BLM (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL31152587 0.76 AHR (0.40) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL30792604 0.76 CYP3A4 (0.55) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL8022331 0.76 CA1 (0.38) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL1167973 0.76 LMNA (0.51) MAPTALDH1A1GAAHSD17B10KDM4E
SCHEMBL7007389 0.76 ALOX5 (0.33) MAPTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3875151-B1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO [4.3.1] DECANE DERIVATES FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2023-09-20 EP disclosed
EP-4159736-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2023-04-05 EP disclosed
EP-3875151-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO [4.3.1] DECANE DERIVATES FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2021-09-08 EP disclosed
EP-2714032-B1 NOVEL DIPHENYLMETHANE DERIVATIVES AS SGLT2 INHIBITORS GREEN CROSS CORP (KR) 2019-01-16 EP disclosed
WO-2017217792-A1 METHOD FOR PRODUCING DIPHENYLMETHANE DERIVATIVE 주식회사 대웅제약 2017-12-21 WO disclosed
EP-3097103-B1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS (DE) 2017-11-15 EP disclosed
EP-3012250-B1 ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-11-08 EP disclosed
EP-3208272-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-08-23 EP disclosed
EP-3191484-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2017-07-19 EP disclosed
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS DUMAS JACQUES 2010-03-25 US disclosed
WO-2010025235-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-04 WO disclosed
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-7544682-B2 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-06-09 US disclosed
US-7544682-B2 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-06-09 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
EP-1636585-B1 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORP (US) 2008-01-16 EP disclosed
US-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
US-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-07-19 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 (5 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-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof DPYD, PNPO, TYMP MMP12 4830/4885MAPT 2111/4885ALDH1A1 407/4885
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS CDK4, MKI67, TP53 MMP12 4427/4885MAPT 1522/4885ALDH1A1 1298/4885
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF DPYD, PNPO, TYMP MMP12 4824/4885MAPT 1950/4885ALDH1A1 470/4885
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MMP12 2682/4885MAPT 4509/4885ALDH1A1 1786/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 MMP12 2390/4885MAPT 3959/4885ALDH1A1 710/4885

“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.