SCHEMBL13100481

SCHEMBL13100481

COc1cc2ccc3c4ccccc4ccc3c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 3/20 0.56
CYP1B1 Q16678 2/20 0.56
HIF1A Q16665 1/20 0.56
MAPT P10636 2/20 0.55
HPRT1 P00492 3/20 0.54
RAD52 P43351 2/20 0.52
CYP1A2 P05177 2/20 0.49
CYP1A1 P04798 1/20 0.49
NQO1 P15559 1/20 0.48
HPGD P15428 2/20 0.47
NQO2 P16083 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
RAC1 P63000 1/20 0.45
KRAS P01116 1/20 0.45

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
SCHEMBL9040694 0.96 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP1B1HIF1AMAPT
SCHEMBL1128095 0.84 NQO1 (0.56) ALDH1A1HSD17B10CYP1B1HIF1AMAPT
SCHEMBL27751211 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1AMAPTRAD52
SCHEMBL25622471 0.83 MAPT (0.53) ALDH1A1HSD17B10CYP1B1HIF1AMAPT
SCHEMBL21331548 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1B1HIF1AMAPT
Hydrochloric Acid SCHEMBL27730723 0.82 NQO1 (0.54) ALDH1A1HSD17B10CYP1B1HIF1AMAPT
SCHEMBL9765553 0.81 MEN1 (0.54) ALDH1A1MAPTRAD52NQO1TDP1
SCHEMBL21331587 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1B1HIF1AMAPT
SCHEMBL27584106 0.81 MAPT (0.44) ALDH1A1HSD17B10CYP1B1HIF1AMAPT
SCHEMBL1005616 0.80 MAPT (0.59) ALDH1A1HSD17B10MAPTHPRT1NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100269406-A1 Novel Coupled Hydrocarbyl-Substituted Phenol Materials as Oilfield Wax Inhibitors THE LUBRIZOL CORPORATION (US) 2010-10-28 US disclosed
US-20100269406-A1 Novel Coupled Hydrocarbyl-Substituted Phenol Materials as Oilfield Wax Inhibitors THE LUBRIZOL CORPORATION (US) 2010-10-28 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-20100269406-A1 Novel Coupled Hydrocarbyl-Substituted Phenol Materials as Oilfield Wax Inhibitors MYB, SCD, HPD ALDH1A1 398/4885HSD17B10 58/4885CYP1B1 1172/4885

“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.