SCHEMBL16213682

SCHEMBL16213682

CC(C)Cc1ccc(C(C)C)o1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALOX5 P09917 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL407650 0.85 POLB (0.39) NPC1RAB9APOLBL3MBTL1GABRA1
SCHEMBL23675586 0.82 NPC1 (0.34) NPC1RAB9APOLBL3MBTL1GABRA1
SCHEMBL19818391 0.82 NPC1 (0.34) NPC1RAB9APOLBL3MBTL1GABRA1
SCHEMBL9967682 0.78 CHRM2 (0.37) NPC1RAB9AALOX5
SCHEMBL12394760 0.77 ALOX5 (0.35) ALOX5
SCHEMBL104309 0.76 CHRM2 (0.50) NPC1RAB9APOLBL3MBTL1ALOX5
SCHEMBL8224692 0.76 CYP2A6 (0.42) ALOX5
SCHEMBL17929805 0.76 ALOX5 (0.30) ALOX5
SCHEMBL459430 0.76 CHRM2 (0.36) NPC1RAB9APOLBL3MBTL1GABRA1
SCHEMBL9967681 0.76 ALDH1A1 (0.43) NPC1RAB9APOLBL3MBTL1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-10012650-B2 Assays for BTK inhibitors MERCK PATENT GMBH (DE) 2018-07-03 US disclosed
US-20170073511-A1 METHOD FOR MAKING HETEROPHASIC POLYMER COMPOSITIONS MILLIKEN & COMPANY 2017-03-16 US disclosed
US-20170073511-A1 METHOD FOR MAKING HETEROPHASIC POLYMER COMPOSITIONS MILLIKEN & COMPANY 2017-03-16 US disclosed
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-9410035-B2 Modified heterophasic polyolefin composition MILLIKEN & COMPANY (US) 2016-08-09 US disclosed
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-20160024289-A1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & COMPANY 2016-01-28 US disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 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 (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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK NPC1 4487/4885RAB9A 2628/4885POLB 3356/4885
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS BTK, SYK, LYN NPC1 3303/4885RAB9A 2603/4885POLB 2697/4885
US-10012650-B2 Assays for BTK inhibitors BTK, SYK, LYN NPC1 3303/4885RAB9A 2603/4885POLB 2697/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP NPC1 1389/4885RAB9A 1576/4885POLB 300/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK NPC1 4487/4885RAB9A 2628/4885POLB 3356/4885

“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.