SCHEMBL16414443

SCHEMBL16414443

CCCCc1ccc(CCCC)c(C(C)N)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.41
▸ NOS2 P35228 1/20 0.37
▸ TLR8 Q9NR97 2/20 0.36
▸ TYR P14679 1/20 0.35
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CTRC Q99895 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL16414410 0.86 KDM4E (0.34) KCNH2NOS2
SCHEMBL16414169 0.75 PARP1 (0.36) ESR1
SCHEMBL22546299 0.74 KCNH2 (0.53) KCNH2NOS2TLR8TYRESR1
SCHEMBL16414439 0.72 KCNH2 (0.43) KCNH2NOS2TLR8TYRESR1
SCHEMBL11728240 0.72 KCNH2 (0.55) KCNH2NOS2TLR8TYR
SCHEMBL16414476 0.70 TLR8 (0.36) TLR8TYRCTRCHTR2A
SCHEMBL16414341 0.69 NOS2 (0.37) NOS2TLR8TYRHTR2A
SCHEMBL23093067 0.68 NOS2 (0.49) KCNH2NOS2TLR8HRH2HRH3
SCHEMBL27754208 0.68 GABRP (0.38) KCNH2NOS2ESR1ESR2HTR2A
SCHEMBL24016721 0.68 KCNH2 (0.39) KCNH2NOS2TLR8TYRESR1

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-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 — — US claimed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 — — EP 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 KCNH2 836/4885NOS2 2953/4885TLR8 4198/4885

“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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