SCHEMBL4250294

SCHEMBL4250294

COC(=O)[C@]1(C)OC[C@@H](c2ccc(OCc3ccccc3)cc2)CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.49
TP53 P04637 1/20 0.49
MAOB P27338 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ACACB O00763 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
ALDH1A1 P00352 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
ALOX5 P09917 1/20 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
SCHEMBL4247217 1.00 ADAM17 (0.49) ADAM17TP53MAOBNPC1RAB9A
SCHEMBL4251661 0.86 PPARG (0.55) ADAM17MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4243663 0.85 RAB9A (0.44) RAB9ACYP1A2
SCHEMBL4251004 0.85 RAB9A (0.44) RAB9ACYP1A2
SCHEMBL4245899 0.84 MAOB (0.52) ADAM17MAOBOPRM1OPRD1MMP13
SCHEMBL4244761 0.84 MAOB (0.52) ADAM17MAOBOPRM1OPRD1MMP13
SCHEMBL5450325 0.84 ACACB (0.50) ADAM17MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL2730097 0.82 TP53 (0.51) TP53MAOBRAB9ASMN1; SMN2OPRM1
SCHEMBL5448541 0.81 PPARA (0.56) ADAM17MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4254702 0.81 KDM4E (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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-20090012069-A1 Novel Antidiabetic Compounds CADILA HEALTHCARE LIMITED (IN) 2009-01-08 US disclosed
EP-1781633-A1 NOVEL ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2007-05-09 EP disclosed
WO-2006018855-A1 NOVEL ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2006-02-23 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 (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-20090012069-A1 Novel Antidiabetic Compounds GPR119, SLC5A1, SLC5A2 ADAM17 4468/4885TP53 3290/4885MAOB 1459/4885

“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.