SCHEMBL6076637

SCHEMBL6076637

CCC(C)c1ccc(N)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
GAA P10253 2/20 0.58
USP2 O75604 1/20 0.58
PKM P14618 1/20 0.58
CYP3A4 P08684 4/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
ESR2 Q92731 1/20 0.40
THRB P10828 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40

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
SCHEMBL11275551 0.83 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10GAA
SCHEMBL10584292 0.82 CYP3A4 (0.48) ALDH1A1HPGDALOX15HSD17B10GAA
SCHEMBL9963710 0.82 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10GAA
SCHEMBL18848621 0.82 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10GAA
SCHEMBL16770733 0.82 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10GAA
SCHEMBL27363114 0.82 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10GAA
SCHEMBL10333201 0.79 TSHR (0.54) ALDH1A1HPGDALOX15HSD17B10GAA
SCHEMBL3786798 0.79 CYP3A4 (0.54) ALDH1A1HPGDALOX15HSD17B10GAA
SCHEMBL14645078 0.78 USP2 (0.46) ALDH1A1HPGDALOX15HSD17B10GAA
SCHEMBL11514222 0.78 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10GAA

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-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
CN-1169794-C 4-quinolinol derivatives and agrohorticultural bactericides containing the same as active ingredient �����Ƹ���ʽ���� 2004-10-06 CN 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
CN-1259124-A 4-quinolyl phenol derivatives and agricultural and horticultural fungicides containing the same as the active ingredient RHONE POULENC YUKA AGRO KABUSH (JP) 2000-07-05 CN 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

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 229/4885HPGD 3338/4885ALOX15 3949/4885
US-20030119863-A1 4-Quinolinol derivatives and agrohorticultural bactericides containing the same as active ingredient CYP51A1, DDT, PGLS ALDH1A1 741/4885HPGD 2467/4885ALOX15 3562/4885

“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.