SCHEMBL25393456

SCHEMBL25393456

O=C(O)c1ccc(C#Cc2c3nc(c(C#Cc4ccc(C(=O)O)cc4)c4ccc([nH]4)c(C#Cc4ccc(C(=O)O)cc4)c4nc(c(C#Cc5ccc(C(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.56
▸ CYCS P99999 3/20 0.55
▸ RARB P10826 5/20 0.43
▸ RARG P13631 5/20 0.43
▸ PTPN11 Q06124 1/20 0.41
▸ RARA P10276 2/20 0.37
▸ CYP26A1 O43174 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CRABP2 P29373 1/20 0.37
▸ ACACB O00763 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GRIK1 P39086 1/20 0.35
▸ GRIK2 Q13002 1/20 0.35
▸ GRIK3 Q13003 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
Hydrochloric Acid SCHEMBL18091372 0.78 APP (0.40) TOP1CYP3A4TP53KDM4EALDH1A1
SCHEMBL69572 0.73 RARB (0.69) RARBRARGPTPN11RARACYP26A1
SCHEMBL29789030 0.73 RARB (0.69) RARBRARGPTPN11RARACYP26A1
SCHEMBL709532 0.72 TOP1 (1.00) TOP1CYCSGRIK1GRIK2GRIK3
SCHEMBL29354037 0.72 TOP1 (1.00) TOP1CYCSGRIK1GRIK2GRIK3
SCHEMBL1497141 0.71 TOP1 (0.97) TOP1CYCSGRIK1GRIK2GRIK3
SCHEMBL3047596 0.71 TOP1 (0.97) TOP1CYCSGRIK1GRIK2GRIK3
SCHEMBL19640853 0.71 CYCS (1.00) TOP1CYCSGRIK1GRIK2GRIK3
Hydrochloric Acid SCHEMBL17002623 0.71 TOP1 (0.97) TOP1CYCSGRIK1GRIK2GRIK3
SCHEMBL31463636 0.71 TOP1 (0.97) TOP1CYCSGRIK1GRIK2GRIK3

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-12546743-B2 Electrochemical sensor and related methods UNIVERSITY OF SOUTH FLORIDA (US) 2026-02-10 — — US disclosed
US-20230296554-A1 ELECTROCHEMICAL SENSOR AND RELATED METHODS UNIVERSITY OF SOUTH FLORIDA 2023-09-21 — — 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-12546743-B2 Electrochemical sensor and related methods EPX, MUC1, EPCAM TOP1 4862/4885CYCS 2095/4885RARB 3933/4885

“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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