SCHEMBL2385998

SCHEMBL2385998

COc1cc(OC)cc(-c2ccco2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 2/20 0.53
CYP1A1 P04798 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2E1 P05181 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C8 P10632 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2A6 P11509 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP4B1 P13584 2/20 0.52
CYP2B6 P20813 2/20 0.52
CYP3A5 P20815 2/20 0.52
CYP2A7 P20853 2/20 0.52
CYP3A7 P24462 2/20 0.52
CYP2F1 P24903 2/20 0.52

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
SCHEMBL2045217 0.84 ALDH1A1 (0.67) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL3685934 0.83 TAAR1 (0.55) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL22779406 0.83 ERN1 (0.55) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL18304652 0.82 KAT6A (0.61) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL18311307 0.81 KAT6A (0.57) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL27773463 0.80 CHRNB1 (0.51) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL19662062 0.79 TAAR1 (0.58) ALDH1A1KDM4ERAB9AHPGDNPC1
SCHEMBL2389780 0.79 ERN1 (0.57) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL2388588 0.79 MAPT (0.64) ALDH1A1KDM4ESMN1; SMN2HPGDCYP3A4
SCHEMBL2389984 0.77 ERN1 (0.56) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209449-B Inhibitors of the kynurenine pathway 库拉德夫制药私人有限公司 2019-02-01 CN claimed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
CN-104710385-B PDE10 inhibitor and compositions related and method 奥默罗斯公司 2018-11-09 CN disclosed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US disclosed
CN-103402516-B Compound, composition and application method as antiviral drugs 富津世生物技术有限公司 2018-01-30 CN disclosed
CN-107445919-A PDE10 inhibitor and compositions related and method 奥默罗斯公司 2017-12-08 CN disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
EP-2544679-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2013-01-16 EP disclosed
CN-102869355-A Pde10 inhibitors and related compositions and methods OMEROS CORP 2013-01-09 CN disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 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 (3 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-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885KDM4E 2629/4885RAB9A 89/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885KDM4E 2629/4885RAB9A 89/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885KDM4E 2629/4885RAB9A 89/4885

“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.