SCHEMBL6077093

SCHEMBL6077093

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
GAA P10253 3/20 0.56
HSD17B10 Q99714 2/20 0.56
USP2 O75604 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP3A4 P08684 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.43
APP P05067 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
ADRA2B P18089 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
SCHEMBL19478537 0.87 ALDH1A1 (0.59) ALDH1A1GAAHSD17B10USP2PKM
SCHEMBL5132140 0.83 ALDH1A1 (0.53) ALDH1A1GAAHSD17B10HPGDCYP3A4
SCHEMBL84557 0.82 ALDH1A1 (0.57) ALDH1A1GAAHSD17B10CYP3A4TDP1
SCHEMBL11466249 0.82 ALDH1A1 (0.57) ALDH1A1GAAHSD17B10CYP3A4TDP1
SCHEMBL8298141 0.82 ALDH1A1 (0.60) ALDH1A1GAAHSD17B10USP2PKM
SCHEMBL22477433 0.81 ALDH1A1 (0.55) ALDH1A1GAAHSD17B10CYP3A4TDP1
SCHEMBL1597428 0.80 ALDH1A1 (0.59) ALDH1A1GAAHSD17B10CYP3A4TDP1
SCHEMBL13523902 0.80 ALDH1A1 (0.50) ALDH1A1GAAHSD17B10HPGDCYP3A4
SCHEMBL12909064 0.79 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10USP2PKM
SCHEMBL9782923 0.78 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10USP2PKM

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 229/4885GAA 426/4885HSD17B10 141/4885
US-20030119863-A1 4-Quinolinol derivatives and agrohorticultural bactericides containing the same as active ingredient CYP51A1, DDT, PGLS ALDH1A1 741/4885GAA 344/4885HSD17B10 568/4885

“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.