SCHEMBL13363552

SCHEMBL13363552

Cc1cc2c(s1)CCC(C)C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
NPC1 O15118 8/20 0.48
RAB9A P51151 7/20 0.48
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PNMT P11086 1/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MAPT P10636 6/20 0.43
LMNA P02545 4/20 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
SCHEMBL15980354 0.85 PNMT (0.42) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL27253986 0.82 PNMT (0.41) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL19981574 0.79 PNMT (0.44) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL19981887 0.79 PNMT (0.44) ALDH1A1NPC1RAB9AKMT2AKDM4E
Hydrochloric Acid SCHEMBL31564255 0.78 PNMT (0.43) ALDH1A1KDM4EPNMTMAPT
SCHEMBL11987810 0.77 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL17970202 0.77 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL11987739 0.77 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL13303489 0.77 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AKMT2AKDM4E
Hydrochloric Acid SCHEMBL31564547 0.75 PNMT (0.41) ALDH1A1NPC1RAB9APKMSMN1; SMN2

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
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
EP-2188267-B1 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER GILEAD CONNECTICUT INC (US) 2016-08-03 EP disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 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 (2 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 ALDH1A1 450/4885NPC1 558/4885RAB9A 2542/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885NPC1 2024/4885RAB9A 2641/4885

“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.