SCHEMBL8737313

SCHEMBL8737313

Cc1ccc(C)c2c1CC(F)(F)O2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL21695603 0.85 RXRA (0.33)
SCHEMBL9606825 0.83 GPR55 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL8737446 0.83 GPR55 (0.32)
SCHEMBL660362 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAHTTCYP1A2
SCHEMBL8473812 0.72 HTR2C (0.34) SMN1; SMN2LMNACYP1A2
SCHEMBL8736921 0.68
SCHEMBL6127936 0.67 ADORA2A (0.31)
SCHEMBL15957311 0.67
SCHEMBL18710384 0.64 RXRA (0.31)
Hydrochloric Acid SCHEMBL10961028 0.63 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAHTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 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 (4 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-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ALDH1A1 2161/4885SMN1; SMN2 1982/4885LMNA 1740/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ALDH1A1 2161/4885SMN1; SMN2 1982/4885LMNA 1740/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 3689/4885SMN1; SMN2 525/4885LMNA 652/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 3613/4885SMN1; SMN2 536/4885LMNA 491/4885

“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.