SCHEMBL18737459

SCHEMBL18737459

CCC(C)(C)c1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 15/20 0.60
▸ GRM5 P41594 1/20 0.55
▸ NR4A2 P43354 1/20 0.55
▸ PARP10 Q53GL7 1/20 0.53
▸ MAOA P21397 2/20 0.50
▸ FFAR1 O14842 1/20 0.49

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
SCHEMBL12261786 0.87 MAOB (0.65) MAOBGRM5NR4A2PARP10MAOA
SCHEMBL10727153 0.82 LMNA (0.55) MAOBNR4A2MAOA
SCHEMBL22874674 0.82 MAOB (0.71) MAOBNR4A2PARP10MAOAFFAR1
SCHEMBL22967760 0.81 MAOB (0.65) MAOBGRM5NR4A2PARP10MAOA
SCHEMBL8276628 0.80 MAOB (0.73) MAOBNR4A2PARP10MAOAFFAR1
SCHEMBL22874577 0.80 MAOB (0.60) MAOBGRM5NR4A2PARP10MAOA
SCHEMBL27521276 0.80 MAOB (0.77) MAOBNR4A2PARP10MAOA
SCHEMBL21340832 0.79 MAOB (0.79) MAOBNR4A2PARP10MAOA
SCHEMBL10136590 0.79 MAOB (0.71) MAOBNR4A2PARP10MAOA
SCHEMBL5038027 0.79 MAOB (0.71) MAOBNR4A2PARP10MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 — — US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 — — US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 — — 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 (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-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK MAOB 2519/4885GRM5 2512/4885NR4A2 2105/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAOB 230/4885GRM5 2256/4885NR4A2 3666/4885

“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.

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