SCHEMBL4736969

SCHEMBL4736969

CSc1cccc(-c2cc3c(c(C(=O)O)c2)OCCO3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
ADCY1 Q08828 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCL1 Q07820 1/20 0.38
AKR1C2 P52895 2/20 0.36
AKR1C3 P42330 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL4735875 0.84 ACMSD (0.50) TP53SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL4735844 0.83 AKR1C2 (0.52) TP53MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL4736975 0.82 DHODH (0.43) TP53SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL4737367 0.81 ACMSD (0.47) TP53LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4737354 0.81 KDM4E (0.43) TP53MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4735827 0.81 MCL1 (0.54) TP53MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4736941 0.81 DCLRE1B (0.46) TP53MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL4737775 0.81 CTNNB1 (0.49) TP53SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL4735473 0.80 DHODH (0.47) MAPTLMNAADCY1ALDH1A1KDM4E
SCHEMBL4739386 0.79 LMNA (0.46) TP53LMNASMN1; SMN2ALDH1A1KDM4E

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 TP53 4376/4885MAPT 4176/4885LMNA 2315/4885

“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.