SCHEMBL3316491

SCHEMBL3316491

Cc1ccc(S(=O)(=O)c2ccc(C)cc2-c2ccc(O)c(Cl)c2)c(-c2ccc(O)c(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.42
ESR2 Q92731 3/20 0.41
ESR1 P03372 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PRKCZ Q05513 1/20 0.36
HSD17B1 P14061 1/20 0.36

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
SCHEMBL51467 0.86 TRPA1 (0.48) ALDH1A1TRPA1IDO1PKLRTP53
SCHEMBL3164778 0.79 MAOB (0.45) ESR2ESR1ALDH1A1GAACA12
SCHEMBL4616262 0.79 AGTR1 (0.43) ALKBH3ALDH1A1PTGS1PTGS2
SCHEMBL27704409 0.79 ESR2 (0.47) ALKBH3ESR2ESR1HSP90AA1HSP90AB1
SCHEMBL9231992 0.75 TRPA1 (0.47) ALDH1A1LMNATRPA1IDO1PKLR
SCHEMBL31453311 0.72 ALDH1A1 (0.41) ALKBH3ALDH1A1LMNAHTTPTGS1
SCHEMBL169725 0.72
SCHEMBL4126510 0.72 HDAC7 (0.47) HSP90AA1ALDH1A1LMNAGAAPTGS2
SCHEMBL7769831 0.71 ESR2 (0.39) ESR2ESR1HTTPTGS1PTGS2
SCHEMBL6333440 0.71 ESR2 (0.39) ALKBH3ESR2ESR1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 US claimed
CN-110741237-A Material for pressure measurement 富士胶片株式会社 2020-01-31 CN disclosed
EP-1260498-B1 NOVEL COLOR FORMER AND RECORDING MATERIAL CHEMIPRO KASEI KAISHA LTD (JP) 2014-07-09 EP disclosed
US-7807738-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2010-10-05 US disclosed
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL KABASHIMA KAZUO 2010-04-29 US disclosed
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 US disclosed
EP-1260498-A1 NOVEL COLOR FORMER AND RECORDING MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2002-11-27 EP disclosed
US-20010044553-A1 Novel compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2001-11-22 US disclosed
EP-1116713-A1 NOVEL COLOR-DEVELOPING COMPOUND AND RECORDING MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2001-07-18 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 (2 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-20010044553-A1 Novel compound for color-producing composition, and recording material UROD, UMPS, UGT1A10 ALKBH3 184/4885ESR2 824/4885ESR1 1702/4885
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 ALKBH3 366/4885ESR2 426/4885ESR1 1017/4885

“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.