SCHEMBL168765

SCHEMBL168765

CC(=O)c1cc(C)c(Br)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 4/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
CA9 Q16790 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38

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
SCHEMBL29836030 1.00 HTT (0.47) HTTKDM4ENCOA3SMN1; SMN2NPC1
SCHEMBL4261356 0.92 HTT (0.47) HTTKDM4ENCOA3SMN1; SMN2NPC1
SCHEMBL23591285 0.83 SNCA (0.40) HTTKDM4ENCOA3SMN1; SMN2NPC1
SCHEMBL167694 0.83 GRM1 (0.51) KDM4EHPGDALDH1A1CA9MCL1
SCHEMBL22324170 0.83 HTT (0.50) HTTKDM4ENCOA3SMN1; SMN2CYP3A4
SCHEMBL29380024 0.83 HTT (0.50) HTTKDM4ENCOA3SMN1; SMN2CYP3A4
SCHEMBL17244914 0.83 RAB9A (0.46) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL29495545 0.82 HTT (0.54) HTTKDM4ENCOA3SMN1; SMN2NPC1
SCHEMBL471442 0.82 HTT (0.54) HTTKDM4ENCOA3SMN1; SMN2NPC1
SCHEMBL3656900 0.80 HTT (0.52) HTTKDM4ENCOA3SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325550-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORP (US) 2025-10-23 US disclosed
US-20250289823-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3K-DELTA RELATED DISORDERS INCYTE CORPORATION 2025-09-18 US disclosed
US-12351570-B2 Disubstituted alkyne derivatives MERCK PATENT GMBH (DE) 2025-07-08 US disclosed
US-20250129088-A1 CEREBLON E3 UBIQUITIN LIGASE INHIBITOR GAN & LEE PHARMACEUTICALS CO., LTD. (CN) 2025-04-24 US disclosed
EP-3888657-B1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2025-03-19 EP disclosed
US-12201636-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2025-01-21 US disclosed
EP-4471033-A1 CEREBLON E3 UBIQUITIN LIGASE INHIBITOR Gan & Lee Pharmaceuticals Co., Ltd. (CN) 2024-12-04 EP disclosed
US-12152033-B2 Use of pyrazolopyrimidine derivatives for the treatment of PI3K-δ related disorders INCYTE CORPORATION (US) 2024-11-26 US disclosed
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 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 (10 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-20250129088-A1 CEREBLON E3 UBIQUITIN LIGASE INHIBITOR CRBN, UBE3A, UBE3C HTT 713/4885KDM4E 1439/4885NCOA3 420/4885
US-20250325550-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HTT 1804/4885KDM4E 916/4885NCOA3 1200/4885
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HTT 1804/4885KDM4E 916/4885NCOA3 1200/4885
US-12351570-B2 Disubstituted alkyne derivatives BRCA1, MYC, PCNA HTT 2571/4885KDM4E 2366/4885NCOA3 146/4885
US-12152033-B2 Use of pyrazolopyrimidine derivatives for the treatment of PI3K-δ related disorders PIK3CD, PIK3CA, PIK3R5 HTT 2066/4885KDM4E 4213/4885NCOA3 559/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HTT 809/4885KDM4E 4057/4885NCOA3 1155/4885
US-20250289823-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3K-DELTA RELATED DISORDERS PIK3CD, PIK3CA, PIK3CB HTT 2500/4885KDM4E 4203/4885NCOA3 772/4885
US-12201636-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB HTT 1804/4885KDM4E 916/4885NCOA3 1200/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HTT 809/4885KDM4E 4057/4885NCOA3 1155/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 HTT 809/4885KDM4E 4057/4885NCOA3 1155/4885

“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.