SCHEMBL4489863

SCHEMBL4489863

O=C(CCCCl)c1ccc(CCCCCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.56
THRB P10828 9/20 0.56
DPP4 P27487 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.46
HAO1 Q9UJM8 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL27707793 0.86 L3MBTL1 (0.65) THRATHRBNPC1L3MBTL1
SCHEMBL11703098 0.84 L3MBTL1 (0.63) THRATHRBDPP4L3MBTL1
SCHEMBL14397985 0.83 NPC1 (0.48) THRATHRBDPP4NPC1RAB9A
SCHEMBL3689140 0.81 ALDH1A1 (0.52) THRATHRBNPC1RAB9AL3MBTL1
SCHEMBL3676848 0.81 CES2 (0.47) THRATHRBDPP4NPC1RAB9A
SCHEMBL27590407 0.81 HDAC3 (0.47) THRATHRBDPP4NPC1RAB9A
SCHEMBL6139365 0.81 RARB (0.61) THRATHRBNPC1RAB9A
SCHEMBL3539803 0.81 THRA (0.50) THRATHRBHSD17B10
SCHEMBL6556728 0.81 THRA (0.55) THRATHRBDPP4NPC1RAB9A
SCHEMBL10708487 0.81 MAPT (0.56) THRATHRBDPP4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 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 (3 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-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A THRA 4419/4885THRB 3912/4885DPP4 608/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A THRA 4066/4885THRB 3496/4885DPP4 230/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A THRA 4066/4885THRB 3496/4885DPP4 230/4885

“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.