SCHEMBL562773

SCHEMBL562773

CC(C(=O)O)=C(c1ccccc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.52
CES2 O00748 4/20 0.43
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MLYCD O95822 1/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL491486 0.82 CES1 (0.45) CES1CES2ALDH1A1TSHRDAO
SCHEMBL524976 0.82 CES1 (0.45) CES1CES2ALDH1A1TSHRDAO
SCHEMBL8055824 0.81 CES2 (0.57) CES2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL8055817 0.81 CES2 (0.57) CES2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL8055819 0.81 CES2 (0.57) CES2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL4783569 0.79 CES1 (0.56) CES1CES2ALDH1A1TSHRDAO
SCHEMBL2505658 0.79 CES2 (0.54) CES1CES2ALDH1A1TSHRRAB9A
SCHEMBL2505653 0.79 CES2 (0.54) CES1CES2ALDH1A1TSHRRAB9A
SCHEMBL28449348 0.79 CES1 (0.48) CES1CES2ALDH1A1TSHRDAO
SCHEMBL8634365 0.78 CES1 (0.54) CES1CES2ALDH1A1TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609318-B2 Radiation-sensitive resin composition, method for forming resist pattern and polymer JSR CORPORATION (JP) 2013-12-17 US disclosed
US-20120034560-A1 RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN AND POLYMER JSR CORPORATION (JP) 2012-02-09 US disclosed
EP-2193117-A1 INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth a Corporation of the State of Delaware (US) 2010-06-09 EP disclosed
US-20090023801-A1 INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2009-01-22 US disclosed
WO-2009012205-A1 INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2009-01-22 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-20090023801-A1 INHIBITORS OF BETA AMYLOID PRODUCTION GYS1, APP, PSEN1 CES1 127/4885CES2 1008/4885ALDH1A1 4075/4885

“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.