SCHEMBL12266038

SCHEMBL12266038

[2H][C@@](F)(Cc1ccc(C)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ PTGS1 P23219 4/20 0.41
▸ PTGS2 P35354 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ AKR1C3 P42330 2/20 0.41
▸ CXCR1 P25024 2/20 0.41
▸ CXCR2 P25025 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ NR1I3 Q14994 1/20 0.41

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
SCHEMBL7419589 0.81 PPARG (0.47) PPARGPPARAKMT2ATDP1FFAR1
SCHEMBL12266029 0.81 PPARG (0.47) PPARGPPARAKMT2ATDP1FFAR1
SCHEMBL26342193 0.78 LDHA (0.62) PPARGPPARAKMT2ATDP1FFAR1
SCHEMBL7378715 0.76 CYP1A2 (0.65) PPARGPPARAKMT2A
SCHEMBL10081972 0.75 TBXAS1 (0.53) PPARGPPARAKMT2ATDP1FFAR1
SCHEMBL18407489 0.75 KDM6B (0.56) PPARGPPARAKMT2ATDP1FFAR1
SCHEMBL7436701 0.75 CYP1A2 (0.57) PPARGPPARA
SCHEMBL12696346 0.75 TBXAS1 (0.53) PPARGPPARAKMT2ATDP1FFAR1
SCHEMBL7436695 0.75 CYP1A2 (0.57) PPARGPPARA
SCHEMBL16882728 0.75 KDM6B (0.56) PPARGPPARAKMT2ATDP1FFAR1

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-20110224431-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-09-15 — — 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-20110224431-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof HDHD5, DCX, CLK2 PPARG 1761/4885PPARA 3027/4885KMT2A 2122/4885

“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.

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