SCHEMBL6501237

SCHEMBL6501237

O=Cc1cccc(C(F)(F)F)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
MAOB P27338 2/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
MAOA P21397 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
AR P10275 1/20 0.40
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
SRC P12931 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1638152 0.85 RXRA (0.45) RXRARXRBRXRGMAOBCCNB2
SCHEMBL28877513 0.84 CCNB2 (0.53) MAOBCCNB2CDK1CDK4CCNB1
SCHEMBL1163493 0.80 KDM1A (0.50) MRGPRX4MAOBCCNB2CDK1CDK4
SCHEMBL4746800 0.79 PTGDR2 (0.53) MAOBPIM1PIM2SMN1; SMN2ALDH1A1
SCHEMBL4958641 0.79 RXRA (0.38) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL1050281 0.78 CCNB2 (0.59) MAOBCCNB2CDK1CDK4CCNB1
SCHEMBL7398752 0.77 HTR1A (0.50) RXRARXRBMAOBCCNB2CDK1
SCHEMBL4242750 0.77 CA1 (0.56) MAOBCCNB2CDK1CDK4CCNB1
SCHEMBL21544795 0.77 SCN8A (0.47) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL31241188 0.77 LMNA (0.50) MAOBMAPTPIM1ALDH1A1HPGD

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-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA MRGPRX4 1017/4885RXRA 40/4885RXRB 36/4885

“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.