SCHEMBL2823641

SCHEMBL2823641

COC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
NR1I2 O75469 1/20 0.37
IDO1 P14902 2/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9408539 0.81 ALDH1A1 (0.40) IDO1TRPA1ALDH1A1TSHRTAAR1
SCHEMBL2822708 0.75 NR1H2 (0.45) RORCNR1H2NR1H3NR1I2TSHR
SCHEMBL3819337 0.74 KIF11 (0.45) RORCNR1H2NR1H3NR1I2ALDH1A1
SCHEMBL15603600 0.74 PDE2A (0.47) NR1H2NR1H3IDO1TRPA1ALDH1A1
SCHEMBL16880438 0.74 ALDH1A1 (0.37) RORCNR1H2NR1H3NR1I2IDO1
SCHEMBL9694556 0.74 RORC (0.39) RORCTRPA1ALDH1A1TSHRMEN1
SCHEMBL8436560 0.73 ESR1 (0.50) NR1H2NR1H3IDO1TRPA1ALDH1A1
SCHEMBL16446207 0.73 ALDH1A1 (0.40) IDO1TRPA1ALDH1A1TSHRTAAR1
SCHEMBL16875453 0.73 TRPA1 (0.40) IDO1TRPA1ALDH1A1TSHRTAAR1
SCHEMBL10890440 0.73 NR1H2 (0.54) RORCNR1H2NR1H3NR1I2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG RORC 265/4885NR1H2 4/4885NR1H3 5/4885

“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.