SCHEMBL4489859

SCHEMBL4489859

CCCC(Cl)c1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTR7 P34969 1/20 0.46
NPC1 O15118 3/20 0.45
USP5 P45974 1/20 0.41
RAB9A P51151 2/20 0.41
S1PR5 Q9H228 2/20 0.40
STS P08842 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2923903 0.80 USP5 (0.64) HSD17B3L3MBTL1HTR7NPC1USP5
SCHEMBL10520447 0.78 ALDH1A1 (0.47) RAB9ASMN1; SMN2
SCHEMBL3682043 0.78 USP5 (0.47) HSD17B3L3MBTL1HTR7NPC1USP5
SCHEMBL8072880 0.78 USP5 (0.47) HSD17B3L3MBTL1HTR7NPC1USP5
SCHEMBL3671743 0.76 USP5 (0.50) L3MBTL1NPC1USP5RAB9AHPGD
SCHEMBL27724305 0.76 USP5 (0.46) HSD17B3L3MBTL1HTR7NPC1USP5
SCHEMBL29023170 0.76 NPC1 (0.47) HSD17B3L3MBTL1HTR7NPC1USP5
SCHEMBL3671788 0.76 L3MBTL1 (0.51) HSD17B3L3MBTL1HTR7NPC1USP5
SCHEMBL27707793 0.76 L3MBTL1 (0.65) HSD17B3L3MBTL1HTR7NPC1
SCHEMBL11484918 0.76 HSD17B3 (0.61) HSD17B3L3MBTL1HTR7NPC1USP5

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 HSD17B3 883/4885L3MBTL1 970/4885HTR7 2855/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A HSD17B3 510/4885L3MBTL1 1085/4885HTR7 3329/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A HSD17B3 510/4885L3MBTL1 1085/4885HTR7 3329/4885

“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.