SCHEMBL9846052

SCHEMBL9846052

COc1c(C=O)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
MAOA P21397 6/20 0.49
MAPT P10636 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
NPC1 O15118 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL28826056 0.77 HSD17B10 (0.40) CA12CA9MAOAMAPTNPC1
SCHEMBL18702818 0.76 NPC1 (0.44) CA12CA9MAOAMAPTABCG2
SCHEMBL29502989 0.76 NPC1 (0.44) CA12CA9MAOAMAPTABCG2
SCHEMBL719219 0.76 L3MBTL1 (0.55) CA12CA9MAOAMAPTNPC1
SCHEMBL718444 0.75 ABCB1 (0.44) MAOAMAPTMEN1KMT2AKDM4E
Phenol SCHEMBL28047094 0.75 ALDH1A1 (0.43) MAOAMAPTNPC1KDM4EALDH1A1
SCHEMBL28074590 0.75 CA12 (0.54) CA12CA9MAOAMAPTABCG2
SCHEMBL831768 0.74 CA12 (0.66) CA12CA9MAOAMAPTABCG2
SCHEMBL29854772 0.74 CA12 (0.66) CA12CA9MAOAMAPTABCG2
SCHEMBL13926095 0.73 MEN1 (0.41) MAOANPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 US disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
EP-3359536-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2021-08-04 EP disclosed
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2020-12-10 US disclosed
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2018-10-11 US disclosed
WO-2017062581-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-04-13 WO disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP 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-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G CA12 4819/4885CA9 4514/4885MAOA 4744/4885
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CA12 4819/4885CA9 4514/4885MAOA 4744/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CA12 4819/4885CA9 4514/4885MAOA 4744/4885
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G CA12 4819/4885CA9 4514/4885MAOA 4744/4885
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CA12 4819/4885CA9 4514/4885MAOA 4744/4885

“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.