SCHEMBL15922982

SCHEMBL15922982

CC(C)c1cc(CCl)cc(C=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.42
ERN1 O75460 7/20 0.40
GABRA1 P14867 4/20 0.40
GABRB1 P18505 4/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
GABRB2 P47870 2/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL5419620 0.86 GSR (0.44) GSRERN1GABRA1GABRB1CA1
SCHEMBL6049696 0.82 GSR (0.59) GSRGABRA1GABRB1CA1CA2
SCHEMBL15151800 0.78 PTGS2 (0.45) GSRGABRA1GABRB1GABRB2GABRA5
SCHEMBL27822185 0.78 GABRA1 (0.44) GSRERN1GABRA1GABRB1CA1
SCHEMBL31346731 0.77 ERN1 (0.48) ERN1MAPTLMNA
SCHEMBL310578 0.77 ERN1 (0.64) ERN1GABRA1GABRB1CA1CA2
SCHEMBL14186853 0.77 ERN1 (0.48) ERN1MAPTLMNA
SCHEMBL10080184 0.77 GABRA1 (0.43) GSRERN1GABRA1GABRB1CA1
SCHEMBL7248031 0.77 PTGS2 (0.46) GABRA1GABRB1LMNAGABRB2GABRA5
SCHEMBL15922520 0.76 ERN1 (0.42) ERN1MAPTLMNA

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-20150368181-A1 RECYCLABLE CHIRAL CATALYST FOR ASYMMETRIC NITROALDOL REACTION AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-24 US disclosed
EP-2950927-A1 RECYCLABLE CHIRAL CATALYST FOR ASYMMETRIC NITROALDOL REACTION AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-12-09 EP disclosed
WO-2014118799-A1 RECYCLABLE CHIRAL CATALYST FOR ASYMMETRIC NITROALDOL REACTION AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-07 WO 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-20150368181-A1 RECYCLABLE CHIRAL CATALYST FOR ASYMMETRIC NITROALDOL REACTION AND PROCESS FOR THE PREPARATION THEREOF ECH1, ALDH3A1, REN GSR 682/4885ERN1 1926/4885GABRA1 1848/4885

“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.