SCHEMBL6077097

SCHEMBL6077097

CCCCc1ccc(N)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
SKP2 Q13309 1/20 0.61
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
CYP19A1 P11511 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
TAAR1 Q96RJ0 2/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL27589972 0.93 ALDH1A1 (0.61) ALDH1A1SKP2PPARGPPARACYP3A4
SCHEMBL11276098 0.93 ALDH1A1 (0.61) ALDH1A1SKP2PPARGPPARACYP3A4
SCHEMBL5132141 0.91 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRCYP19A1HSD17B10
SCHEMBL13181141 0.89 ALDH1A1 (0.69) ALDH1A1SKP2CYP3A4TSHRCYP19A1
SCHEMBL1299605 0.89 ALDH1A1 (0.69) ALDH1A1PPARGPPARACYP3A4TSHR
SCHEMBL9516946 0.87 ALDH1A1 (0.77) ALDH1A1CYP3A4TSHRCYP19A1HSD17B10
SCHEMBL19921255 0.84 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRCYP19A1HSD17B10
SCHEMBL2759507 0.83 ATM (0.63) PPARGPPARACYP3A4CYP19A1KDM4E
SCHEMBL2019108 0.81 KDM4E (0.72) ALDH1A1CYP3A4TSHRCYP19A1HSD17B10
SCHEMBL15837702 0.81 ALDH1A1 (0.59) ALDH1A1SKP2CYP3A4TSHRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO claimed
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO disclosed
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO disclosed
US-7067668-B2 4-quinolinol derivatives and fungicides containing the same as an active ingredient used for agriculture and horticulture MEIJI SEIKA KAISHA, LTD. (JP) 2006-06-27 US disclosed
EP-0990648-B1 4-QUINOLINOL DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA (JP) 2005-11-02 EP disclosed
US-20040152728-A1 4-Quinolinol derivatives and fungicides containing the same as an active ingredient used for agriculture and horticulture MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-05 US disclosed
US-6680282-B2 FUNGICIDE HAVING AN EXCELLENT CONTROL EFFECT; 4-QUINOLINOL DERIVATIVES HAVING SPECIFIC SUBSTITUENT AT 1,2 AND ATLEAST ONE SUBSTITUENT AT 5,6,7,8 POSITION MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-20 US disclosed
US-20030119863-A1 4-Quinolinol derivatives and agrohorticultural bactericides containing the same as active ingredient MEIJI SEIKA PHARMA CO., LTD. (JP) 2003-06-26 US disclosed
EP-0990648-A1 4-QUINOLINOL DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha, Ltd. (JP) 2000-04-05 EP disclosed
EP-0065720-B1 PROCESS FOR PREPARING HYDROXYPHENYL AMINE DERIVATIVES CASSELLA Aktiengesellschaft (DE) 1985-01-09 EP disclosed
EP-0065720-A1 Process for preparing hydroxyphenyl amine derivatives CASSELLA Aktiengesellschaft (DE) 1982-12-01 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-20040152728-A1 4-Quinolinol derivatives and fungicides containing the same as an active ingredient used for agriculture and horticulture CYP51A1, CYP4X1, CYP4Z1 ALDH1A1 229/4885SKP2 841/4885PPARG 2075/4885
US-20030119863-A1 4-Quinolinol derivatives and agrohorticultural bactericides containing the same as active ingredient CYP51A1, DDT, PGLS ALDH1A1 741/4885SKP2 1609/4885PPARG 2236/4885

“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.