SCHEMBL6201444

SCHEMBL6201444

CC(=O)C(=Cc1cc(F)c(F)c(F)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR35 Q9HC97 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.35
GLO1 Q04760 1/20 0.35

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
SCHEMBL7968227 1.00 TRPA1 (0.42) TRPA1ALDH1A1TDP1GLAPOLB
SCHEMBL6648396 0.90 KDM4E (0.48) TRPA1ALDH1A1TDP1GLAPOLB
SCHEMBL6683857 0.82 ALDH1A1 (0.47) TRPA1ALDH1A1TDP1GLAPOLB
SCHEMBL2570880 0.81 AKR1C3 (0.53) TRPA1CES2CES1TUBB1EGFR
SCHEMBL2570881 0.81 AKR1C3 (0.53) TRPA1CES2CES1TUBB1EGFR
SCHEMBL6785139 0.81 TRPA1 (0.46) TRPA1GPR35HTTCYP1A2CYP2C9
SCHEMBL6194337 0.81 MAPT (0.47) TRPA1TDP1GAAMAPTTUBB1
SCHEMBL6194338 0.81 MAPT (0.47) TRPA1TDP1GAAMAPTTUBB1
SCHEMBL8557774 0.77 TRPA1 (0.37) TRPA1CYP1A2CYP2C9CYP2C19CES2
SCHEMBL8557771 0.77 TRPA1 (0.37) TRPA1CYP1A2CYP2C9CYP2C19CES2

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
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D TRPA1 304/4885ALDH1A1 63/4885TDP1 737/4885

“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.