SCHEMBL3089174

SCHEMBL3089174

Cc1cccc(Pc2cccc(C(C)(C)C)c2C(C)(C)C)c1-c1c(C)cccc1Pc1cccc(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CA2 P00918 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL30996206 0.87 CA2 (0.44) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL4748714 0.82 GABRA1 (0.40) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL16990195 0.80 CA2 (0.39) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL3135046 0.76 KIF11 (0.33) CA2ALDH1A1TSHRTDP1
SCHEMBL27699133 0.75 CA2 (0.38) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL1927917 0.75 GABRA1 (0.58) GABRA1GABRB2CA2ALDH1A1KDM4E
SCHEMBL22471766 0.72 BCL2L1 (0.32)
SCHEMBL14877302 0.72 GABRA1 (0.60) GABRA1GABRB2CA2ALDH1A1KDM4E
SCHEMBL3749865 0.72 CA2 (0.46) GABRA1GABRB2CA2ALDH1A1KDM4E
SCHEMBL22829805 0.72 GABRA1 (0.45) GABRA1GABRB2CA2ALDH1A1KDM4E

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-7799941-B2 Process for producing optically active β-hydroxy-α-aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-21 US disclosed
US-20060167300-A1 Process for producing optically active ss-hydroxy alpha aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-07-27 US disclosed
EP-1650185-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-HYDROXY- ALPHA-AMINOCARBOXYLIC ACID DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2006-04-26 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-20060167300-A1 Process for producing optically active ss-hydroxy alpha aminocarboxylic acid derivative ALDH7A1, HCAR1, ALAD GABRA1 703/4885GABRB2 1448/4885CA2 330/4885

“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.