SCHEMBL4855666

SCHEMBL4855666

COC(=O)CC(NC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KCNA5 P22460 3/20 0.47
TACR3 P29371 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL4854046 0.93 LMNA (0.50) TSHRKCNA5TACR3KMT2AMEN1
SCHEMBL4856344 0.91 ALDH1A1 (0.49) TSHRKCNA5TACR3KMT2AMEN1
SCHEMBL4854181 0.91 GPR88 (0.52) KMT2AMEN1ALDH1A1
SCHEMBL4858585 0.85 KCNA5 (0.49) KCNA5TACR3KMT2AMEN1POLB
SCHEMBL4857878 0.85 TNF (0.54) KMT2AMEN1POLB
SCHEMBL4848433 0.83 KCNA5 (0.50) TSHRKCNA5KMT2AALDH1A1HPGD
SCHEMBL8285876 0.83 ALDH1A1 (0.54) TSHRKCNA5TACR3KMT2AMEN1
SCHEMBL4883284 0.82 ALDH1A1 (0.50) TSHRKMT2AALDH1A1HPGD
SCHEMBL4890478 0.82 ALDH1A1 (0.50) TSHRKMT2AALDH1A1HPGD
SCHEMBL4883269 0.82 ALDH1A1 (0.50) TSHRKMT2AALDH1A1HPGD

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-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 TSHR 2523/4885KCNA5 4185/4885TACR3 1769/4885

“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.