SCHEMBL4134865

SCHEMBL4134865

COc1ccc(C2CCCCC2)c(C(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ NSD1 Q96L73 1/20 0.41
▸ NSD3 Q9BZ95 1/20 0.41

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
SCHEMBL1667824 0.85 PTGDR2 (0.51) PTGDR2ALDH1A1POLBNPC1RAB9A
Acetic Acid SCHEMBL27702447 0.81 PTGDR2 (0.56) PTGDR2ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL12047054 0.80 SMN1; SMN2 (0.53) PTGDR2ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL28610604 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL17681961 0.80 ALDH1A1 (0.57) PTGDR2ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL8340157 0.79 MAPT (0.55) PTGDR2ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL16957894 0.79 PTGDR2 (0.40) PTGDR2ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL12047041 0.78 KDM4E (0.54) PTGDR2MAPK1POLBNPC1RAB9A
SCHEMBL4608591 0.78 PTGDR2 (0.52) PTGDR2ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL4609520 0.76 PTGDR2 (0.50) PTGDR2ALDH1A1CYP3A4HPGDMAPK1

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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 — — US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 — — US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 — — EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 — — US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 — — WO 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 PTGDR2 4626/4885ALDH1A1 2299/4885CYP3A4 52/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 PTGDR2 4626/4885ALDH1A1 2299/4885CYP3A4 52/4885

“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.

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