SCHEMBL1201102

SCHEMBL1201102

Cc1cccc(C)c1OCc1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1C(O)C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
FFAR1 O14842 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KDM4E B2RXH2 1/20 0.31
EGLN2 Q96KS0 3/20 0.31
EGLN1 Q9GZT9 2/20 0.31
GYS1 P13807 2/20 0.31
MAOB P27338 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL1199752 0.87 FFAR1 (0.39) ARFFAR1TSHRKDM4EEGLN2
SCHEMBL1200589 0.83 SCN8A (0.40) ARFFAR1TSHRMAOBATM
SCHEMBL3413980 0.83 FFAR1 (0.38) FFAR1MAPTMEN1LMNAKMT2A
SCHEMBL1200700 0.82 MAOB (0.39) FFAR1MAPTMEN1LMNAKMT2A
SCHEMBL1201086 0.82 TSHR (0.35) FFAR1MAPTMEN1LMNAKMT2A
SCHEMBL1200371 0.82 AR (0.34) ARFFAR1TSHRKDM4EMAOB
SCHEMBL1200260 0.80 TSHR (0.34) ARFFAR1MEN1LMNAKMT2A
SCHEMBL1199474 0.79 CYP2D6 (0.35) FFAR1MEN1LMNAKMT2ATSHR
SCHEMBL1200733 0.78 KMT2A (0.41) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL1201055 0.77 TSHR (0.36) FFAR1MAPTMEN1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 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-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 AR 3215/4885FFAR1 4230/4885MAPT 4100/4885

“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.