SCHEMBL2570628

SCHEMBL2570628

C=CCc1cc(OCC(O)CO)ccc1C(C)(C)c1ccc(OCC(O)CO)cc1CC=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
HTR1A P08908 1/20 0.38
ADRB3 P13945 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL12735971 0.89 TSHR (0.43) ARTSHRMAPK1MAPTTDP1
SCHEMBL193998 0.88 AR (0.46) ARTSHRMAPTTDP1POLB
SCHEMBL2741333 0.85 TSHR (0.41) ARTSHRMAPK1MAPTTDP1
SCHEMBL2741729 0.82 TSHR (0.46) ARTSHRMAPK1MAPTTDP1
SCHEMBL12735959 0.80 MAPT (0.43) ARTSHRMAPTTDP1POLB
SCHEMBL472133 0.79 CA12 (0.43) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL2741078 0.77 MAPT (0.41) ARTSHRMAPTTDP1POLB
SCHEMBL194650 0.75 VDR (0.47) ARTSHRMAPTTDP1ALDH1A1
SCHEMBL11385028 0.74 ALDH1A1 (0.49) ARTSHRMAPK1MAPTPOLB
SCHEMBL17257811 0.73 ALOX5 (0.44) MAPTTDP1POLBHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476379-B2 Silphenylene skeleton-containing silicone type polymer and method for manufacturing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-07-02 US disclosed
EP-2386591-B1 Silphenylene skeleton-containing silicone type polymer and method for manufacturing the same SHINETSU CHEMICAL CO (JP) 2013-04-17 EP disclosed
US-8378148-B2 Alcoholic hydroxyl-containing compounds and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-02-19 US disclosed
US-8378148-B2 Alcoholic hydroxyl-containing compounds and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-02-19 US disclosed
EP-2316810-B1 Alcoholic hydroxyl-containing compounds and making method SHINETSU CHEMICAL CO (JP) 2012-01-04 EP disclosed
EP-2386591-A2 Novel silphenylene skeleton-containing silicon type polymer and method for manufacturing the same Shin-Etsu Chemical Co., Ltd. (JP) 2011-11-16 EP disclosed
US-20110275768-A1 NOVEL SILPHENYLENE SKELETON-CONTAINING SILICONE TYPE POLYMER AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
EP-2316810-A1 Alcoholic hydroxyl-containing compounds and making method Shin-Etsu Chemical Co., Ltd. (JP) 2011-05-04 EP disclosed
US-20110082321-A1 ALCOHOLIC HYDROXYL-CONTAINING COMPOUNDS AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-04-07 US disclosed
US-20110082321-A1 ALCOHOLIC HYDROXYL-CONTAINING COMPOUNDS AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-04-07 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-20110082321-A1 ALCOHOLIC HYDROXYL-CONTAINING COMPOUNDS AND MAKING METHOD ADH1A, ADH1C, ADH5 AR 121/4885TSHR 2707/4885MAPK1 4359/4885

“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.