SCHEMBL17020102

SCHEMBL17020102

Cc1ccc([C@@H](O)C(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.46
ACHE P22303 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX5 P09917 1/20 0.35
LMNA P02545 4/20 0.33
ALDH1A1 P00352 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MLKL Q8NB16 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL9732281 1.00 CHRNA7 (0.46) CHRNA7ACHETDP1ALOX5LMNA
SCHEMBL3693273 0.84 CHRNA7 (0.55) CHRNA7ACHETDP1ALOX5LMNA
SCHEMBL11938485 0.84 CHRNA7 (0.55) CHRNA7ACHETDP1ALOX5LMNA
SCHEMBL11938483 0.84 CHRNA7 (0.55) CHRNA7ACHETDP1ALOX5LMNA
SCHEMBL17014700 0.80 TYR (0.41) LMNAALDH1A1ADRA2AADRA2CHIF1A
SCHEMBL28037840 0.79 ACHE (0.44) CHRNA7ACHETDP1ALOX5LMNA
SCHEMBL23232284 0.77 IDO1 (0.41) LMNAALDH1A1SMN1; SMN2CES2CES1
SCHEMBL7073627 0.77 ESR1 (0.48) TDP1LMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL801235 0.77 CHRNA7 (0.48) CHRNA7ACHETDP1ALOX5LMNA
SCHEMBL801000 0.77 CHRNA7 (0.48) CHRNA7ACHETDP1ALOX5LMNA

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
EP-2884982-B1 SUBSTITUTED PHENYL SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
US-9353066-B2 Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-08-20 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-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN CHRNA7 4769/4885ACHE 3813/4885TDP1 1278/4885

“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.