SCHEMBL4470968

SCHEMBL4470968

Cn1c(C(=O)O)cc2cc(OCc3ccccc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 1.00
MEN1 O00255 1/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 1/20 0.67
SRD5A1 P18405 1/20 0.65
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 3/20 0.64
HSD17B10 Q99714 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LTB4R Q15722 1/20 0.60
LTB4R2 Q9NPC1 1/20 0.60
GFER P55789 1/20 0.58
PLA2G4A P47712 1/20 0.56
MCL1 Q07820 2/20 0.56
GALR3 O60755 1/20 0.54
GAA P10253 1/20 0.54
ALOX5 P09917 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL4464733 0.90 SRD5A2 (0.81) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL6087478 0.90 SRD5A2 (0.81) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL5507380 0.88 SRD5A2 (0.78) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL4023414 0.88 SRD5A2 (0.78) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL8687408 0.87 SRD5A2 (0.76) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL13802531 0.85 SRD5A2 (0.74) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL700511 0.85 SRD5A2 (0.73) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL5509218 0.85 SRD5A2 (0.73) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL5507214 0.84 SRD5A2 (0.71) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL13802519 0.84 SRD5A2 (0.72) SRD5A2MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048901-B2 5-{3-[3-(5-Methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]-propyl}-2H-tetrazole; metabolic disorders, insulin resistance, dyslipidemia, Syndrome X AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-11-01 US disclosed
US-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
US-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-09 US disclosed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US disclosed
CN-101065356-A 2-arylcarboxamide-nitrogen-containing heterocyclic compounds BANYU PHARMA CO LTD (JP) 2007-10-31 CN disclosed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 EP disclosed
US-5852046-A Benzo-fused heterocyclic compounds having a 5-membered ring processes for their preparation their use as medicaments their use as diagnostic agents and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
EP-0639573-A1 Benzocondensed five membered heterocycles, process of their preparation, their use as drug, as diagnostic means and pharmaceuticals containing it HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-22 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 (2 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-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, FFAR1 SRD5A2 286/4885MEN1 2914/4885NPC1 583/4885
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MCHR2, MCHR1, NPY2R SRD5A2 430/4885MEN1 921/4885NPC1 864/4885

“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.