SCHEMBL8996586

SCHEMBL8996586

CC[C@H](CC(=O)OC)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
KCNN4 O15554 3/20 0.41
KCNA5 P22460 1/20 0.38
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SRC P12931 1/20 0.35
CES1 P23141 1/20 0.35
MAPT P10636 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8996547 1.00 POLB (0.42) POLBLMNAKCNN4KCNA5KMT2A
SCHEMBL4857148 0.81 KCNN4 (0.43) POLBKCNN4KCNA5KMT2AALDH1A1
SCHEMBL15672754 0.81 KCNN4 (0.43) POLBKCNN4KCNA5KMT2AALDH1A1
SCHEMBL4847757 0.79 KCNA5 (0.44) POLBKCNN4KCNA5KMT2AHPGD
SCHEMBL29045223 0.79 KMT2A (0.43) POLBLMNAKCNN4KCNA5KMT2A
SCHEMBL5799829 0.79 KMT2A (0.43) POLBLMNAKCNN4KCNA5KMT2A
SCHEMBL3302423 0.77 KCNN4 (0.47) POLBLMNAKCNN4KMT2AKDM4E
SCHEMBL3302429 0.77 KCNN4 (0.47) POLBLMNAKCNN4KMT2AKDM4E
SCHEMBL3856980 0.77 KCNN4 (0.47) POLBLMNAKCNN4KMT2AKDM4E
SCHEMBL10003453 0.76 LMNA (0.45) POLBLMNAKCNA5KMT2AKDM4E

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-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 EP disclosed
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 US disclosed
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 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-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 POLB 3547/4885LMNA 2731/4885KCNN4 960/4885

“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.