SCHEMBL18573571

SCHEMBL18573571

C=CC(=O)Oc1ccc(C(C)(C)C)cc1C=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ THRB P10828 3/20 0.36
▸ THRA P10827 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TYMS P04818 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL28959624 0.84 MRGPRX4 (0.43) CYP2C19MAPTSMN1; SMN2CA1CA2
SCHEMBL30150627 0.83 APEX1 (0.46) CYP2C19MAPTCA1CA2CA9
SCHEMBL30543067 0.83 CA1 (0.37) CYP2C19MAPTCA1CA2CA9
SCHEMBL29500385 0.83 APEX1 (0.46) CYP2C19MAPTCA1CA2CA9
SCHEMBL4230066 0.82 PTGS1 (0.43) MAPTCA1CA2CA9NPSR1
SCHEMBL9775494 0.78 CYP2C19 (0.36) CYP2C19MAPTSMN1; SMN2CA1CA2
SCHEMBL28829674 0.78 MAPT (0.37) CYP2C19MAPTSMN1; SMN2CA1CA2
SCHEMBL14999531 0.77 SMN1; SMN2 (0.40) MAPTSMN1; SMN2CA1CA2CA9
SCHEMBL8422162 0.77 CYP2C19 (0.63) CYP2C19MAPTSMN1; SMN2MAPK1NPSR1
SCHEMBL18372367 0.76 THRB (0.45) MAPTSMN1; SMN2THRBMAPK1NPSR1

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-20170056389-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-03-02 — — 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 (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-20170056389-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM PCK1, DCK, CILK1 CYP2C19 3523/4885MAPT 3915/4885SMN1; SMN2 4567/4885

“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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