SCHEMBL4081360

SCHEMBL4081360

CC(CNC(=O)CCCC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 3/20 0.44
THRB P10828 1/20 0.44
EGFR P00533 1/20 0.41
ERBB3 P21860 1/20 0.41
OPRM1 P35372 1/20 0.41
ASAH1 Q13510 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4072352 0.94 HPGD (0.49) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7898468 0.78 HPGD (0.46) SMN1; SMN2NPC1RAB9AHPGDTHRB
SCHEMBL8502825 0.77 THRB (0.54) POLBALDH1A1NPC1RAB9AHPGD
SCHEMBL7015486 0.77 THRB (0.54) POLBNPC1RAB9AHPGDTHRB
SCHEMBL9081205 0.75 USP5 (0.47) POLBSMN1; SMN2NPC1RAB9ATHRB
SCHEMBL30416115 0.74 ALDH1A1 (0.68) POLBALDH1A1SMN1; SMN2RAB9AHPGD
Hydrochloric Acid SCHEMBL9084040 0.73 USP5 (0.46) POLBSMN1; SMN2NPC1RAB9ATHRB
SCHEMBL28425942 0.72 HPGD (0.57) HPGDLMNATSHR
SCHEMBL207794 0.72 SMN1; SMN2 (0.70) POLBALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL2554154 0.71 FFAR1 (0.61) POLBALDH1A1HPGDTHRBLMNA

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
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD POLB 1568/4885ALDH1A1 158/4885SMN1; SMN2 1061/4885

“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.