SCHEMBL13248659

SCHEMBL13248659

CC(C)(N)c1ccc2ccccc2c1-c1c(C(C)(C)O)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ KCNJ11 Q14654 5/20 0.37
▸ ABCC9 O60706 4/20 0.37
▸ ABCC8 Q09428 4/20 0.37
▸ KCNJ8 Q15842 4/20 0.37

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
SCHEMBL14063310 0.81 HSD17B10 (0.45) HSD17B10HPGDMAPTALDH1A1MEN1
SCHEMBL15870870 0.79 MEN1 (0.43) HSD17B10HPGDMAPTALDH1A1MEN1
SCHEMBL2132427 0.78 CYP2C9 (0.42) HSD17B10HPGDMAPTALDH1A1MEN1
SCHEMBL17841035 0.77 ALDH1A1 (0.42) HSD17B10HPGDMAPTALDH1A1MEN1
SCHEMBL17836986 0.76 HSD17B10 (0.37) HSD17B10HPGDMAPTALDH1A1MEN1
SCHEMBL13152865 0.76 ALOX5 (0.42) HSD17B10HPGDMAPTALDH1A1MEN1
SCHEMBL1906196 0.75 HSD17B10 (0.48) HSD17B10HPGDMAPTALDH1A1MEN1
SCHEMBL15865044 0.74 HSD17B10 (0.36) HSD17B10HPGDMAPTALDH1A1MEN1
SCHEMBL9578019 0.74 HSD17B10 (0.44) HSD17B10HPGDMAPTALDH1A1MEN1
SCHEMBL9138639 0.74 HSD17B10 (0.42) HSD17B10HPGDMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 — — US disclosed
US-7732544-B2 Titanium compound and process for producing optically active cyanohydrins MITSUI CHEMICALS, INC. (JP) 2010-06-08 — — US disclosed
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins MITSUI CHEMICALS, INC. (JP) 2007-11-15 — — 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 (2 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-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE TDO2, AOX1, DAO HSD17B10 3107/4885HPGD 4279/4885MAPT 4873/4885
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins WNT1, C3AR1, TDO2 HSD17B10 4098/4885HPGD 3904/4885MAPT 4693/4885

“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.

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