SCHEMBL4739680

SCHEMBL4739680

O=C(O)c1cc(-c2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 7/20 0.44
RECQL P46063 1/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.39
HSP90AA1 P07900 1/20 0.39
EIF4E P06730 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL4734000 0.99 TSHR (0.47) TSHRPOLBHPGDRECQLKCNH2
SCHEMBL4734468 0.91 HTT (0.52) TSHRSMN1; SMN2HTTNPC1RAB9A
SCHEMBL4738262 0.83 HPGD (0.53) TSHRHPGDRECQLHRH3SMN1; SMN2
SCHEMBL4736986 0.82 MKNK1 (0.43) TSHRPOLBHPGDSMN1; SMN2NPC1
SCHEMBL4736156 0.80 HPGD (0.52) TSHRPOLBHPGDRECQLSMN1; SMN2
SCHEMBL4737978 0.79 PDK2 (0.40) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4640340 0.79 PLK1 (0.43) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4733746 0.78 NPC1 (0.39) HPGDSMN1; SMN2HTTNPC1RAB9A
SCHEMBL4737918 0.78 RPA1 (0.45) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4640367 0.77 HTT (0.48) TSHRKCNH2HRH3SMN1; SMN2HTT

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-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

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 TSHR 143/4885POLB 3727/4885HPGD 2641/4885

“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.