SCHEMBL4739429

SCHEMBL4739429

COc1ccc(-c2cc3c(c(C(=O)O)c2)OCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
RXRA P19793 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
NR4A2 P43354 1/20 0.42
GPR35 Q9HC97 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP2A6 P11509 1/20 0.40
PARP1 P09874 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4641393 0.87 DHODH (0.47) SMN1; SMN2ALDH1A1HPGDKDM4EPOLB
SCHEMBL4640351 0.86 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EXDH
SCHEMBL4733740 0.85 MCL1 (0.49) SMN1; SMN2RXRAALDH1A1HPGDKDM4E
SCHEMBL4740085 0.85 PARP1 (0.50) SMN1; SMN2RXRAXDHSLC22A12AKR1C3
SCHEMBL4735319 0.83 XDH (0.48) XDHSLC22A12PARP1DHODHMCL1
SCHEMBL4738832 0.83 SMN1; SMN2 (0.48) SMN1; SMN2RXRAALDH1A1HPGDKDM4E
SCHEMBL4735090 0.83 XDH (0.43) SMN1; SMN2RXRAKDM4EXDHSLC22A12
SCHEMBL4736983 0.82 XDH (0.44) RXRAXDHSLC22A12AKR1C2PARP1
SCHEMBL4733776 0.82 PARP1 (0.52) ALDH1A1HPGDKDM4EXDHSLC22A12
SCHEMBL4640372 0.82 JAK2 (0.46) SMN1; SMN2ALDH1A1KDM4EPARP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 SMN1; SMN2 4132/4885RXRA 1586/4885ALDH1A1 3513/4885

“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.