SCHEMBL4738262

SCHEMBL4738262

O=C(O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)cc2c1OCCO2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.53
TSHR P16473 4/20 0.53
RECQL P46063 1/20 0.53
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CHRNA7 P36544 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.41
EIF4E P06730 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL4736156 0.87 HPGD (0.52) HPGDTSHRRECQLMAPK1ALDH1A1
SCHEMBL4734000 0.84 TSHR (0.47) HPGDTSHRRECQLALDH1A1NPC1
SCHEMBL4739680 0.83 TSHR (0.46) HPGDTSHRRECQLALDH1A1NPC1
SCHEMBL4735845 0.81 KDM4E (0.46) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4735326 0.81 TSHR (0.49) HPGDTSHRALDH1A1NPC1RAB9A
SCHEMBL4737367 0.80 ACMSD (0.47) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4785991 0.79 KDM4E (0.45) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4737512 0.78 TP53 (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4737031 0.78 SMN1; SMN2 (0.50) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4736794 0.78 SLC16A3 (0.45) HPGDALDH1A1NPC1RAB9ASMN1; SMN2

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 HPGD 2641/4885TSHR 143/4885RECQL 439/4885

“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.