SCHEMBL2822708

SCHEMBL2822708

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
TSHR P16473 1/20 0.42
MLYCD O95822 1/20 0.41
RORC P51449 4/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
NR1I2 O75469 1/20 0.40
ACHE P22303 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
KIF11 P52732 3/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3819337 0.80 KIF11 (0.45) NR1H2NR1H3TSHRRORCNR1I2
SCHEMBL10890440 0.79 NR1H2 (0.54) NR1H2NR1H3TSHRRORCCA2
SCHEMBL15177873 0.78 TSHR (0.44) NR1H2NR1H3TSHRMLYCDRORC
SCHEMBL13046003 0.77 MAPT (0.41) NR1H2NR1H3RORCNR1I2TDP1
SCHEMBL19315792 0.76 TSHR (0.46) TSHRMLYCDCA2CA1CA5A
SCHEMBL18073428 0.76 TSHR (0.46) TSHRMLYCDCA2CA1CA5A
SCHEMBL8584704 0.75 CA2 (0.48) NR1H2NR1H3TSHRMLYCDRORC
SCHEMBL15986322 0.75 CA2 (0.40) NR1H2NR1H3TSHRMLYCDRORC
SCHEMBL2823641 0.75 RORC (0.43) NR1H2NR1H3TSHRRORCNR1I2
SCHEMBL18275111 0.74 SRD5A2 (0.52) NR1H2NR1H3TSHRMLYCDRORC

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 4 patents. 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
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO disclosed
US-20070179263-A1 Functional material comprising fluorine-containing compound DAIKIN INDUSTRIES LTD. (JP) 2007-08-02 US disclosed
US-20070179263-A1 Functional material comprising fluorine-containing compound DAIKIN INDUSTRIES LTD. (JP) 2007-08-02 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 (2 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-20070179263-A1 Functional material comprising fluorine-containing compound RER1, AFF1, FRG1 NR1H2 1249/4885NR1H3 1519/4885TSHR 677/4885
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG NR1H2 4/4885NR1H3 5/4885TSHR 538/4885

“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.