SCHEMBL195146

SCHEMBL195146

C=CCc1cc(C(c2ccc(OCC(O)CO)c(CC=C)c2)(C(F)(F)F)C(F)(F)F)ccc1OCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 4/20 0.41
ADRB1 P08588 3/20 0.41
HTR1A P08908 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
BDKRB2 P30411 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2741078 0.89 MAPT (0.41) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL12735969 0.88 VDR (0.44) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL194650 0.85 VDR (0.47) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL16255461 0.84 PTGDR (0.41) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL12735959 0.82 MAPT (0.43) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL12573980 0.79 VDR (0.61) KDM4ECYP1A2VDRAR
SCHEMBL2741225 0.78 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL193998 0.78 AR (0.46) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL2741333 0.77 TSHR (0.41) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL16255380 0.76 GABRA1 (0.38) ALDH1A1MAPTLMNAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2316810-B1 Alcoholic hydroxyl-containing compounds and making method SHINETSU CHEMICAL CO (JP) 2012-01-04 EP disclosed
EP-2316810-A1 Alcoholic hydroxyl-containing compounds and making method Shin-Etsu Chemical Co., Ltd. (JP) 2011-05-04 EP 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 ALDH1A1 65/4885MAPT 2906/4885LMNA 1283/4885

“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.