SCHEMBL3950986

SCHEMBL3950986

CC(C)(C)c1ccc(C(=O)c2ccc[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.55
▸ RAB9A P51151 6/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HSP90AA1 P07900 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ SIRT1 Q96EB6 1/20 0.49
▸ HDAC1 Q13547 1/20 0.47
▸ DHPS P49366 1/20 0.44
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ POLB P06746 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ RARG P13631 1/20 0.42

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
SCHEMBL6425920 0.82 MAOB (0.59) SRD5A2RAB9ANPC1
SCHEMBL2353757 0.79 ALDH1A1 (0.58) SRD5A2RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10946728 0.78 SRD5A2 (0.83) SRD5A2RAB9ANPC1SMN1; SMN2HSP90AA1
SCHEMBL1148445 0.78 SRD5A2 (0.83) SRD5A2RAB9ANPC1SMN1; SMN2HSP90AA1
SCHEMBL1897467 0.77 MAPT (0.56) SRD5A2RAB9ANPC1SMN1; SMN2PKM
SCHEMBL10468974 0.77 ALOX5 (0.55) RAB9ANPC1SMN1; SMN2HSP90AA1PKM
SCHEMBL1074961 0.77 ALDH1A1 (0.56) SRD5A2RAB9ASMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL27713186 0.76 SRD5A2 (0.79) SRD5A2RAB9ANPC1SMN1; SMN2HSP90AA1
SCHEMBL371069 0.76 TSHR (0.54) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL6424225 0.76 SMN1; SMN2 (0.67) SRD5A2RAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 — — EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 — — WO disclosed
CN-110325512-A The method for being used to prepare chiral pyrrolidine -2- base carbinol derivatives 豪夫迈·罗氏有限公司 2019-10-11 — — CN disclosed
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 — — WO disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 — — 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 (1 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-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 SRD5A2 2337/4885RAB9A 719/4885NPC1 651/4885

“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.

Send feedback