SCHEMBL25801732

SCHEMBL25801732

CCCCOc1ccc(C#N)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
ESR1 P03372 3/20 0.48
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.42
AR P10275 3/20 0.42
SSTR4 P31391 1/20 0.41
S1PR1 P21453 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
WDR5 P61964 1/20 0.40

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
SCHEMBL19430793 0.94 ALDH1A1 (0.51) MRGPRX4ESR1HPGDALDH1A1KDM4E
SCHEMBL19473011 0.94 ALDH1A1 (0.51) MRGPRX4ESR1HPGDALDH1A1KDM4E
SCHEMBL1715337 0.87 MRGPRX4 (0.48) MRGPRX4ALDH1A1KDM4EMAPTAR
SCHEMBL12461366 0.85 MRGPRX4 (0.47) MRGPRX4ESR1ALDH1A1MAPTAR
SCHEMBL27536051 0.85 MRGPRX4 (0.50) MRGPRX4ESR1ALDH1A1KDM4EMAPT
SCHEMBL437358 0.84 TRPV4 (0.54) MRGPRX4ESR1HPGDALDH1A1HTT
SCHEMBL14393263 0.84 MRGPRX4 (0.49) MRGPRX4ESR1HPGDALDH1A1KDM4E
SCHEMBL25212014 0.83 MRGPRX4 (0.48) MRGPRX4ESR1KDM4EMAPTAR
SCHEMBL16454959 0.83 ALDH1A1 (0.57) HPGDALDH1A1AR
SCHEMBL3747216 0.82 GLA (0.52) MRGPRX4ALDH1A1L3MBTL1MAPTAR

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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 MRGPRX4 188/4885ESR1 4296/4885HPGD 406/4885

“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.