SCHEMBL3825533

SCHEMBL3825533

CC(C)(C)Oc1ccc2ccc(OC(C)(C)C)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 2/20 0.44
KIF11 P52732 1/20 0.44
ABL1 P00519 1/20 0.43
RAB9A P51151 1/20 0.38
RIPK1 Q13546 1/20 0.37
AGXT P21549 2/20 0.35
SRD5A1 P18405 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL3820319 0.95 KIF11 (0.47) CYP1A2CYP2A6KIF11ABL1RAB9A
SCHEMBL10825700 0.91 CYP2A6 (0.58) CYP1A2CYP2A6KIF11ABL1RIPK1
SCHEMBL29080814 0.89 CYP2A6 (0.50) CYP1A2CYP2A6KIF11ABL1RIPK1
SCHEMBL16281934 0.88 ABL1 (0.38) CYP1A2CYP2A6KIF11ABL1RAB9A
SCHEMBL18545835 0.88 CYP1A2 (0.48) CYP1A2ABL1TDP1MEN1ESR1
SCHEMBL22661253 0.86 CYP2A6 (0.58) CYP1A2CYP2A6RAB9AKDM4EMAPK1
SCHEMBL18210779 0.84 CYP2A6 (0.56) CYP1A2CYP2A6KIF11ABL1RIPK1
SCHEMBL20390030 0.83 CYP1A2 (0.50) CYP1A2CYP2A6KIF11ABL1RIPK1
SCHEMBL13019832 0.82 KIF11 (0.40) CYP1A2CYP2A6KIF11ABL1RAB9A
SCHEMBL7340161 0.82 NCEH1 (0.47) CYP1A2CYP2A6KIF11ABL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP disclosed
US-6656328-B2 Subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in presence of basic compound or acid to deprotect the protecting groups of hydroxy group of polyhydric alcohol compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-12-02 US disclosed
EP-1298115-A1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS National Institute of Advanced Industrial Science and Technology (JP) 2003-04-02 EP disclosed
US-20020157939-A1 Process for preparation of polyhydric alcohols NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-10-31 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-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 CYP1A2 1900/4885CYP2A6 2452/4885KIF11 1977/4885

“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.