SCHEMBL847314

SCHEMBL847314

Cc1cc(C(=O)O)ccc1NOC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ TPMT P51580 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ MYC P01106 1/20 0.41
▸ ESR1 P03372 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
SCHEMBL628865 0.78 MAPT (0.46) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL30587156 0.78 MAPT (0.46) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL13610846 0.78 HSD17B10 (0.49) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL2345304 0.75 HCAR3 (0.57) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL6235537 0.74 ALDH1A1 (0.58) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL26021161 0.73 CA12 (0.57) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL3586872 0.73 NEU3 (0.58) KDM4EMEN1KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL28054067 0.73 ALDH1A1 (0.56) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL16729686 0.72 NPC1 (0.51) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL8509027 0.72 CISD2 (0.42) KDM4ENPC1ALDH1A1RAB9AL3MBTL1

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-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 — — US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 — — EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 — — EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 — — US disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 — — 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 (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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 KDM4E 3604/4885MEN1 4610/4885KMT2A 2415/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 KDM4E 3604/4885MEN1 4610/4885KMT2A 2415/4885

“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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