SCHEMBL26683072

SCHEMBL26683072

CCOc1cc(C=O)cc(-c2cccc(O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ FYN P06241 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ERN1 O75460 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ RET P07949 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL18002510 0.84 RXRA (0.47) RXRARXRBALDH1A1ERN1KDM4E
SCHEMBL26683191 0.81 RXRA (0.46) RXRARXRBERN1CYP3A4CYP2C9
SCHEMBL18002106 0.80 RXRA (0.47) RXRARXRBALDH1A1GAAMAPT
SCHEMBL30687719 0.80 CYP11B1 (0.39) FYNALDH1A1ERN1KDM4ESMN1; SMN2
SCHEMBL26683140 0.80 CYP11B1 (0.39) FYNALDH1A1ERN1KDM4ESMN1; SMN2
SCHEMBL17583600 0.79 RXRA (0.55) RXRARXRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL1621388 0.78 ALDH1A1 (0.50) ALDH1A1ERN1KDM4ESMN1; SMN2MAOB
SCHEMBL26682561 0.78 AURKA (0.41) ERN1NLRP3CYP3A4CYP2C9HSD17B1
SCHEMBL21359337 0.76 HSD17B1 (0.61) RXRARXRBNLRP3CYP3A4CYP2C9
SCHEMBL7886087 0.75 HSD17B1 (0.58) ALDH1A1CYP3A4CYP2C9HSD17B1HSD17B2

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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 — — US disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — 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 (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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF RXRA 3810/4885RXRB 3737/4885FYN 835/4885

“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.

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