SCHEMBL25423906

SCHEMBL25423906

O=CNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.76
▸ HSD17B10 Q99714 3/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ TRPV1 Q8NER1 4/20 0.65
▸ GABRA1 P14867 4/20 0.59
▸ GABRB2 P47870 4/20 0.59
▸ HDAC3 O15379 1/20 0.59
▸ HDAC1 Q13547 1/20 0.59
▸ GABRG2 P18507 1/20 0.59
▸ GABRB3 P28472 1/20 0.59
▸ GABRA3 P34903 1/20 0.59
▸ GABRA2 P47869 1/20 0.59
▸ CYP3A4 P08684 3/20 0.58
▸ MAOB P27338 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ CTSD P07339 1/20 0.58

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
SCHEMBL28890661 0.86 HDAC6 (1.00) HDAC6HSD17B10CYP1A2TRPV1GABRA1
SCHEMBL11469118 0.85 HDAC6 (0.78) HDAC6HSD17B10CYP1A2TRPV1GABRA1
SCHEMBL14200691 0.85 HDAC6 (0.78) HDAC6HSD17B10CYP1A2TRPV1GABRA1
SCHEMBL7040103 0.85 HDAC6 (0.78) HDAC6HSD17B10CYP1A2TRPV1GABRA1
SCHEMBL11469117 0.85 HDAC6 (0.78) HDAC6HSD17B10CYP1A2TRPV1GABRA1
SCHEMBL11437675 0.85 HDAC6 (0.78) HDAC6HSD17B10CYP1A2TRPV1GABRA1
Hydrochloric Acid SCHEMBL27627702 0.84 HDAC6 (0.76) HDAC6HSD17B10CYP1A2TRPV1GABRA1
SCHEMBL3762382 0.84 HDAC6 (0.76) HDAC6HSD17B10CYP1A2TRPV1GABRA1
Hydrochloric Acid SCHEMBL27337301 0.84 HDAC6 (0.76) HDAC6HSD17B10CYP1A2TRPV1GABRA1
SCHEMBL4522260 0.83 HSD17B10 (0.76) HDAC6HSD17B10CYP1A2TRPV1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250073217-A1 SMALL MOLECULE ADRENORECEPTOR ANTAGONISTS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-03-06 — — US disclosed
US-20250073217-A1 SMALL MOLECULE ADRENORECEPTOR ANTAGONISTS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-03-06 — — US disclosed
WO-2023133135-A3 SMALL MOLECULE ADRENORECEPTOR ANTAGONISTS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-08-10 — — WO disclosed
WO-2023133135-A2 SMALL MOLECULE ADRENORECEPTOR ANTAGONISTS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-07-13 — — WO disclosed
WO-2023133135-A2 SMALL MOLECULE ADRENORECEPTOR ANTAGONISTS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-07-13 — — 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-20250073217-A1 SMALL MOLECULE ADRENORECEPTOR ANTAGONISTS AND USES THEREOF OPRL1, OPRK1, OPRM1 HDAC6 545/4885HSD17B10 2540/4885CYP1A2 783/4885

“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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