SCHEMBL16414378

SCHEMBL16414378

CC(C)Cc1ccc(CC(C)C)c(CN)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.31
▸ DPP4 P27487 3/20 0.31
▸ DPP8 Q6V1X1 2/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.30

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
SCHEMBL16414514 0.85 KDM4E (0.37) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL17544911 0.77 PDE10A (0.42) GABRA1GABRB2
SCHEMBL16414329 0.74 NOS3 (0.37) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL18924480 0.73 CTSS (0.35) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL16414548 0.71 PARP1 (0.38) NOS3NOS2GABRA1GABRB2
SCHEMBL23863915 0.70 GABRA1 (0.42) NOS3NOS1NOS2MAPK1GABRA1
SCHEMBL16414206 0.68 KDM4E (0.36) NOS3NOS1NOS2TSHRKDM4E
SCHEMBL18199915 0.67 CCR1 (0.50) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL16414467 0.67 KDM4E (0.37) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL3625374 0.66 GABRA1 (0.44) NOS3NOS1NOS2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 — — US claimed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 — — US claimed
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 — — EP disclosed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 — — US disclosed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 — — EP disclosed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 — — 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-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL ADH1A, ADH1C, ADH5 NOS3 2532/4885NOS1 2633/4885NOS2 2953/4885

“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.

Send feedback