SCHEMBL2115755

SCHEMBL2115755

CCCC[Sn](CCCC)(CCCC)c1ccc(OCCCCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.44
NR5A1 Q13285 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL1919533 0.85 LTA4H (0.43) LTA4HNR5A1CYP3A4CYP2D6RAB9A
SCHEMBL1767709 0.84 NQO1 (0.54) LTA4HNR5A1RAB9ANPC1SMN1; SMN2
SCHEMBL23804877 0.83 LTA4H (0.59) LTA4HNR5A1CYP3A4CYP2D6RAB9A
SCHEMBL30592117 0.81 NR5A1 (0.50) LTA4HNR5A1RAB9ANPC1HSD17B10
SCHEMBL2422330 0.79 LTA4H (0.37) LTA4HNR5A1CYP3A4CYP2D6RAB9A
SCHEMBL1983658 0.79 TSHR (0.32) CYP2D6TSHRTP53CYP1A2CYP2C9
SCHEMBL4772404 0.79 ALDH1A1 (0.47) CYP2D6SMN1; SMN2TSHRTP53CYP1A2
SCHEMBL1097013 0.78 CA1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2115089 0.76 LTA4H (0.38) LTA4HNR5A1CYP3A4CYP2D6RAB9A
SCHEMBL7058830 0.76 LMNA (0.50) LTA4HRAB9ASMN1; SMN2GAACYP1A2

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-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 EP 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-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 LTA4H 250/4885NR5A1 644/4885CYP3A4 203/4885

“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.