SCHEMBL3816966

SCHEMBL3816966

Cc1cc(O)c(C2CCCCC2)cc1-c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.39
▸ ESR1 P03372 3/20 0.39
▸ NUDT1 P36639 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ HSD17B1 P14061 2/20 0.35
▸ MAOA P21397 3/20 0.35
▸ MAOB P27338 3/20 0.35
▸ ALOX5 P09917 2/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
P-Cresol SCHEMBL15512405 0.87 ACHE (0.39) ESR2ESR1NUDT1BACE1HSP90AA1
Ethane SCHEMBL27512684 0.84 NUDT1 (0.40) NUDT1BACE1HSP90AA1GAAPTGS2
SCHEMBL16581383 0.84 PTPN5 (0.41) ESR2NUDT1BACE1HSP90AA1GAA
Ethane SCHEMBL28160570 0.82 HSD17B1 (0.41) ESR2NUDT1BACE1HSP90AA1GAA
SCHEMBL18948598 0.81 NUDT1 (0.42) NUDT1BACE1HSP90AA1PTGS2S1PR1
P-Cresol SCHEMBL15511935 0.79 ACHE (0.41) ESR2ESR1NUDT1BACE1HSP90AA1
SCHEMBL27936315 0.78 NUDT1 (0.43) ESR2ESR1NUDT1BACE1HSP90AA1
Ethane SCHEMBL28119304 0.78 NUDT1 (0.44) ESR2ESR1NUDT1BACE1HSP90AA1
SCHEMBL2718435 0.78 NUDT1 (0.51) ESR2ESR1NUDT1BACE1HSP90AA1
SCHEMBL9644050 0.78 NUDT1 (0.51) ESR2ESR1NUDT1BACE1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1375461-B1 DIPHENOL AND PROCESS FOR PRODUCING THE SAME HONSHU CHEMICAL IND (JP) 2009-08-05 — — EP disclosed
US-6872858-B2 Diphenol and process for producing the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2005-03-29 — — US disclosed
US-20040049086-A1 Diphenol and process for producing the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2004-03-11 — — US disclosed
EP-1375461-A1 DIPHENOL AND PROCESS FOR PRODUCING THE SAME Honshu Chemical Industry Co. Ltd. (JP) 2004-01-02 — — 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-20040049086-A1 Diphenol and process for producing the same CYP1A1, AHR, CYP2E1 ESR2 940/4885ESR1 489/4885NUDT1 914/4885

“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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