SCHEMBL6197878

SCHEMBL6197878

Cc1ccc(O)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.37
ESR2 Q92731 5/20 0.36
AR P10275 3/20 0.36
TRPA1 O75762 3/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
PDE10A Q9Y233 1/20 0.33
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.32

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
SCHEMBL5146822 0.84 NQO2 (0.37) ESR1ESR2TDP1TSHRKMT2A
SCHEMBL12154091 0.84 CYP1A2 (0.33) ARTSHRALDH1A1CYP1A2ACHE
SCHEMBL28791919 0.84 TRPA1 (0.39) ESR1ESR2ARTRPA1TP53
SCHEMBL13025564 0.82 ESR2 (0.35) ESR1ESR2ARTRPA1TP53
SCHEMBL12955319 0.80 TSHR (0.39) ESR1ESR2ARTRPA1TP53
SCHEMBL2446676 0.79 TRPA1 (0.56) ESR1ESR2TRPA1TDP1ATM
SCHEMBL30503586 0.79 TRPA1 (0.56) ESR1ESR2TRPA1TDP1ATM
SCHEMBL18364493 0.78 TRPA1 (0.42) ESR1ESR2ARTRPA1TP53
SCHEMBL29359879 0.73 ESR1 (0.43) ESR1ESR2ARTRPA1TP53
SCHEMBL4542512 0.73 KIF11 (0.36) ARKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM ESR1 2161/4885ESR2 1258/4885AR 3571/4885

“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.