SCHEMBL194295

SCHEMBL194295

C=CCc1cc(C(C)(C)c2ccc(OCC3CO3)cc2CC=C)ccc1OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
TSHR P16473 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 1/20 0.50
PPARG P37231 1/20 0.50
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
PKM P14618 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
VDR P11473 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL12807579 0.91 MEN1 (0.44) MAPTALDH1A1TP53TSHRHPGD
SCHEMBL16716239 0.90 ALDH1A1 (0.64) MAPTALDH1A1TP53TSHRHPGD
SCHEMBL15814648 0.90 ALDH1A1 (0.64) MAPTALDH1A1TP53TSHRHPGD
SCHEMBL29361272 0.89 ALDH1A1 (0.52) MAPTALDH1A1TP53TSHRHPGD
SCHEMBL29651825 0.89 ALDH1A1 (0.52) MAPTALDH1A1TP53TSHRHPGD
SCHEMBL15964084 0.89 ALDH1A1 (0.52) MAPTALDH1A1TP53TSHRHPGD
SCHEMBL15215823 0.89 ALDH1A1 (0.52) MAPTALDH1A1TP53TSHRHPGD
SCHEMBL194491 0.89 ALDH1A1 (0.52) MAPTALDH1A1TP53TSHRHPGD
SCHEMBL2741233 0.89 MAPT (0.44) MAPTALDH1A1TP53TSHRHPGD
SCHEMBL10038932 0.88 ALDH1A1 (0.54) MAPTALDH1A1TP53TSHRHPGD

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 7 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-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 MAPT 2906/4885ALDH1A1 65/4885TP53 2081/4885

“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.