SCHEMBL6077263

SCHEMBL6077263

CCC(O)Cc1cc(C)c2nc(C)c(C)c(OCc3ccccc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ATP4A P20648 3/20 0.35
ATP4B P51164 3/20 0.35
HTT P42858 2/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTPN1 P18031 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
GLRA1 P23415 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6076329 0.78 SMN1; SMN2 (0.40) TSHRATP4AATP4BHTTSTAT3
SCHEMBL6077441 0.72 TDP1 (0.36) TSHRATP4AATP4BHTTSTAT3
SCHEMBL6077445 0.70 THRA (0.42) TSHRHTTSTAT3SMN1; SMN2L3MBTL1
SCHEMBL6078583 0.69 SMN1; SMN2 (0.35) TSHRATP4AATP4BHTTSTAT3
SCHEMBL6078590 0.68 L3MBTL1 (0.38) TSHRHTTSTAT3SMN1; SMN2L3MBTL1
SCHEMBL3103639 0.67 L3MBTL1 (0.50) TSHRHTTSTAT3SMN1; SMN2L3MBTL1
SCHEMBL24646118 0.67 CYP4F2 (0.56) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28969202 0.67 CYP4F2 (0.56) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL24645960 0.67 CYP4F2 (0.56) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15459483 0.65 TSHR (0.47) TSHRATP4AATP4BHTTSTAT3

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 6 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
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

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 TSHR 4067/4885ATP4A 534/4885ATP4B 444/4885
US-20030119863-A1 4-Quinolinol derivatives and agrohorticultural bactericides containing the same as active ingredient CYP51A1, DDT, PGLS TSHR 4551/4885ATP4A 1843/4885ATP4B 1058/4885

“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.