SCHEMBL13227201

SCHEMBL13227201

CON(C)C(=O)CCc1ccc(C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ FKBP1A P62942 1/20 0.46
▸ RAB9A P51151 3/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ UTS2R Q9UKP6 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 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
SCHEMBL1906448 0.84 RAB9A (0.49) ALDH1A1RAB9AKMT2AMEN1ALOX5
SCHEMBL21246195 0.82 L3MBTL1 (0.46) ALDH1A1L3MBTL1KMT2AALOX5UTS2R
SCHEMBL2255946 0.81 KMT2A (0.49) ALDH1A1L3MBTL1KMT2AMEN1ALOX5
SCHEMBL21227048 0.81 ALOX5 (0.43) FAAHL3MBTL1RAB9AKMT2AMEN1
SCHEMBL4662624 0.81 TAAR1 (0.46) KMT2AALOX5HPGD
SCHEMBL3988521 0.81 ALOX5 (0.62) ALDH1A1FKBP1ARAB9AALOX5NPC1
SCHEMBL3874037 0.81 ALOX5 (0.51) FAAHALDH1A1KMT2AALOX5HPGD
SCHEMBL1727025 0.80 KMT2A (0.62) ALDH1A1L3MBTL1RAB9AKMT2AMEN1
SCHEMBL3868264 0.80 ALOX5 (0.50) FAAHALDH1A1KMT2AALOX5UTS2R
SCHEMBL4602017 0.78 KDM4E (0.45) ALDH1A1RAB9AKMT2AMEN1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ANDRIES KOENRAAD JOZEF LODEWIJK MARCEL (BE) 2013-01-31 — — US disclosed
US-20100204270-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-12 — — US disclosed
US-20100204270-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-12 — — US disclosed
WO-2007000436-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 — — 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-20100204270-A1 Quinoline Derivatives as Antibacterial Agents NQO2, NDUFB7, NQO1 FAAH 2928/4885ALDH1A1 1171/4885L3MBTL1 3449/4885
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS NQO2, NDUFB7, NDUFA7 FAAH 4010/4885ALDH1A1 1777/4885L3MBTL1 1132/4885

“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.

Send feedback