SCHEMBL25906403

SCHEMBL25906403

CC(C)c1cc(O)cc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
ABL1 P00519 2/20 0.44
ABCB1 P08183 2/20 0.44
BCR P11274 2/20 0.44
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
PTGS2 P35354 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ADRB2 P07550 4/20 0.41
BRD4 O60885 3/20 0.40
CREBBP Q92793 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B1 P14061 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
SCHEMBL16528520 0.87 CA1 (0.44) RXRARXRBRXRGABL1ABCB1
SCHEMBL5352792 0.85 RXRA (0.48) RXRARXRBRXRGPTGS2CRHBP
Ammonia Solution, Strong SCHEMBL27170336 0.83 RXRA (0.47) RXRARXRBRXRGPTGS2CRHBP
SCHEMBL23352150 0.82 EGFR (0.48) EGFRABL1ABCB1BCRMMP3
SCHEMBL599020 0.80 RXRA (0.52) RXRARXRBRXRGPTGS2CYP3A4
SCHEMBL28797620 0.78 EGFR (0.46) EGFRABL1ABCB1BCRMMP3
Phenol SCHEMBL11793173 0.78 RXRA (0.62) RXRARXRBRXRGABL1ABCB1
SCHEMBL218214 0.78 EGFR (0.68) EGFRABL1ABCB1BCRMMP3
SCHEMBL125927 0.78 ABL1 (0.65) EGFRABL1ABCB1BCRMMP3
SCHEMBL20761656 0.77 ESR1 (0.64) RXRARXRBRXRGABL1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 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-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC EGFR 4328/4885RXRA 2013/4885RXRB 1550/4885

“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.