SCHEMBL193998

SCHEMBL193998

C=CCc1cc(C(C)(C)c2ccc(OCC(O)CO)cc2CC=C)ccc1OCC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.46
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
POLB P06746 1/20 0.45
HTT P42858 2/20 0.44
VDR P11473 7/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
HTR1A P08908 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
BDKRB2 P30411 1/20 0.39

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
SCHEMBL194650 0.89 VDR (0.47) ARMAPTTDP1HTTVDR
SCHEMBL12735959 0.89 MAPT (0.43) ARMAPTTDP1POLBHTT
SCHEMBL2570628 0.88 AR (0.48) ARMAPTTDP1POLBHTT
SCHEMBL2741078 0.85 MAPT (0.41) ARMAPTTDP1POLBHTT
SCHEMBL12735969 0.80 VDR (0.44) ARMAPTTDP1POLBHTT
SCHEMBL12735971 0.80 TSHR (0.43) ARMAPTTDP1POLBHTT
SCHEMBL23895825 0.78 ALDH1A1 (0.46) MAPTTDP1POLBHTTALDH1A1
SCHEMBL195146 0.78 ALDH1A1 (0.43) ARMAPTTDP1POLBHTT
SCHEMBL2741329 0.77 ALDH1A1 (0.46) MAPTTDP1POLBHTTALDH1A1
SCHEMBL2741333 0.76 TSHR (0.41) ARMAPTTDP1POLBHTT

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-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
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
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 121/4885MAPT 2906/4885TDP1 1810/4885

“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.