SCHEMBL1367544

SCHEMBL1367544

COc1ccc(C=CC(=O)c2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 4/20 1.00
ASAH1 Q13510 1/20 0.58
MAPT P10636 4/20 0.57
CYP2C19 P33261 2/20 0.57
MAOB P27338 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAOA P21397 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
ABCG2 Q9UNQ0 5/20 0.57
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 2/20 0.56
PLIN1 O60240 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL1367541 1.00 PADI4 (1.00) PADI4ASAH1MAPTCYP2C19MAOB
SCHEMBL1369067 1.00 PADI4 (1.00) PADI4ASAH1MAPTCYP2C19MAOB
SCHEMBL1365749 0.87 PADI4 (0.76) PADI4ASAH1MAPTCYP2C19MAOB
SCHEMBL1366173 0.87 PADI4 (0.76) PADI4ASAH1MAPTCYP2C19MAOB
SCHEMBL1365750 0.87 PADI4 (0.76) PADI4ASAH1MAPTCYP2C19MAOB
SCHEMBL1367265 0.86 PADI4 (0.76) PADI4MAPTCYP2C19MAOBMAOA
SCHEMBL1367264 0.86 PADI4 (0.76) PADI4MAPTCYP2C19MAOBMAOA
SCHEMBL4347009 0.86 PADI4 (0.76) PADI4MAPTCYP2C19MAOBMAOA
SCHEMBL31139822 0.85 PADI4 (0.73) PADI4MAPTCYP2C19MAOBMAOA
SCHEMBL1367938 0.84 PADI4 (0.72) PADI4MAPTMAOBMAOAABCG2

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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 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 (1 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS PADI4 3091/4885ASAH1 995/4885MAPT 4718/4885

“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.