SCHEMBL4010301

SCHEMBL4010301

CC(C)(C)c1ccc2c(C=O)c(O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 17/20 0.59
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL22750626 0.78 ERN1 (0.65) ERN1
SCHEMBL30393816 0.78 ERN1 (0.69) ERN1
SCHEMBL19196663 0.78 ALDH1A1 (0.55) MEN1POLBGAAKMT2AALDH1A1
SCHEMBL3905421 0.78 ERN1 (0.69) ERN1
SCHEMBL7629173 0.78 ALDH1A1 (0.55) MEN1POLBGAAKMT2AALDH1A1
SCHEMBL28800880 0.76 ERN1 (0.67) ERN1
SCHEMBL11906285 0.76 ALDH1A1 (0.53) MEN1POLBGAAKMT2AALDH1A1
SCHEMBL10946476 0.76 ESR1 (0.54) MEN1POLBGAAKMT2AALDH1A1
SCHEMBL1414921 0.75 ERN1 (1.00) ERN1MEN1POLBKMT2AALDH1A1
SCHEMBL9446315 0.75 ERN1 (0.65) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed
US-20050275341-A1 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2005-12-15 US 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-20050275341-A1 Coumarin compound XPO1, VKORC1, XPO5 ERN1 99/4885MEN1 446/4885POLB 3758/4885

“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.