SCHEMBL1758715

SCHEMBL1758715

COC(=O)C1=Cc2cc(Br)ccc2OC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
TP53 P04637 3/20 0.55
LMNA P02545 1/20 0.55
MAOB P27338 4/20 0.50
ALOX5 P09917 1/20 0.48
SHMT2 P34897 1/20 0.47
CA12 O43570 5/20 0.47
CA9 Q16790 5/20 0.47
CA2 P00918 3/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5209506 0.86 CCR2 (0.46) MAPTTP53LMNAMAOBALOX5
SCHEMBL5207946 0.85 MAPT (0.49) MAPTTP53LMNAMAOBALOX5
SCHEMBL24229499 0.84 NR1H4 (0.49) MAPTLMNAMAOBALOX5SHMT2
SCHEMBL8545651 0.84 MAPT (0.55) MAPTTP53LMNAMAOBALOX5
SCHEMBL5858926 0.83 SHMT2 (0.47) MAPTTP53LMNAMAOBSHMT2
SCHEMBL11526406 0.83 CA12 (0.66) MAPTTP53LMNAMAOBSHMT2
SCHEMBL416748 0.82 MAPT (0.56) MAPTTP53LMNAMAOBALOX5
SCHEMBL30529047 0.79 CA12 (0.62) MAPTTP53LMNAMAOBALOX5
SCHEMBL2738436 0.79 CA12 (0.62) MAPTTP53LMNAMAOBALOX5
SCHEMBL5860032 0.79 CA12 (0.45) MAPTLMNAMAOBSHMT2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485708-B2 Compounds for treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2022-11-01 US disclosed
US-20210002229-A1 COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. 2021-01-07 US disclosed
WO-2020257549-A2 COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. (US) 2020-12-24 WO disclosed
US-8921360-B2 Heterobicycle-substituted azolyl benzene fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2014-12-30 US disclosed
EP-2493880-B1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES DU PONT (US) 2013-09-18 EP disclosed
EP-2493880-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. du Pont de Nemours and Company (US) 2012-09-05 EP disclosed
US-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-08-09 US disclosed
WO-2011059619-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 WO 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-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES CBR3, CBR1, CYP2S1 MAPT 4549/4885TP53 3681/4885LMNA 4756/4885
US-20210002229-A1 COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CD274, PDCD1, PDCD1LG2 MAPT 3250/4885TP53 74/4885LMNA 688/4885
US-11485708-B2 Compounds for treatment of PD-L1 diseases CD274, PDCD1, PDCD1LG2 MAPT 3250/4885TP53 74/4885LMNA 688/4885

“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.