SCHEMBL6906429

SCHEMBL6906429

COc1cc(CC(=O)O)ccc1Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.50
CA5A P35218 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NFKB1 P19838 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIPE Q05469 2/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.46
TBXA2R P21731 2/20 0.46
PTGDR Q13258 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL21328339 0.87 CA5A (0.56) SMN1; SMN2TSHRHPGDCA5ALMNA
SCHEMBL6915654 0.87 FFAR1 (0.46) SMN1; SMN2HPGDLMNALIPEL3MBTL1
SCHEMBL8413439 0.85 PPARD (0.58) SMN1; SMN2HPGDLMNALIPEL3MBTL1
SCHEMBL3458686 0.83 SMN1; SMN2 (0.55) SMN1; SMN2TSHRHPGDLMNALIPE
SCHEMBL21346504 0.81 CA5A (0.50) SMN1; SMN2TSHRHPGDCA5ALMNA
SCHEMBL6915004 0.81 CA5A (0.49) SMN1; SMN2TSHRCA5ALMNAGAA
SCHEMBL4711388 0.79 PPARA (0.52) SMN1; SMN2TSHRTDP1PPARDPPARA
SCHEMBL4711387 0.79 PPARA (0.52) SMN1; SMN2TSHRTDP1PPARDPPARA
SCHEMBL8413343 0.79 SMN1; SMN2 (0.62) SMN1; SMN2LMNAGAALIPE
SCHEMBL6911466 0.77 PDGFRB (0.46) SMN1; SMN2HPGDLMNAGAAPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043904-A1 N-(4-pyrazolyl) amide derivatives, chemicals for agricultural and horticultural use, and usage of the same NIHON NOHYAKU CO., LTD. (JP) 2004-03-04 US disclosed
EP-1319657-A1 N-(4-PYRAZOLYL)AMIDE DERIVATIVES, CHEMICALS FOR AGRICULTURAL AND HORTICULTURAL USE, AND USAGE OF THE SAME Nihon Nohyaku Co., Ltd. (JP) 2003-06-18 EP 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-20040043904-A1 N-(4-pyrazolyl) amide derivatives, chemicals for agricultural and horticultural use, and usage of the same CBR3, CYP8B1, CBR1 SMN1; SMN2 4324/4885TSHR 1586/4885HPGD 2844/4885

“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.