SCHEMBL25801629

SCHEMBL25801629

CCCCOc1ccc(C(=N)NO)cc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
WDR5 P61964 2/20 0.47
ESR1 P03372 3/20 0.47
SMPD1 P17405 4/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
RARB P10826 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL13139448 0.94 THRA (0.55) THRATHRBESR1SMPD1
SCHEMBL29973327 0.84 THRA (0.49) THRATHRBSMPD1MEN1NPC1
SCHEMBL23578191 0.84 BACE1 (0.52) THRATHRBSMPD1SMN1; SMN2
SCHEMBL23578552 0.84 THRA (0.49) THRATHRBSMPD1MEN1NPC1
SCHEMBL29973309 0.84 BACE1 (0.52) THRATHRBSMPD1SMN1; SMN2
SCHEMBL23588051 0.81 THRA (0.52) THRATHRBSMPD1MEN1NPC1
SCHEMBL13139467 0.80 THRA (0.57) THRATHRBSMPD1KDM4EMEN1
SCHEMBL4239925 0.80 THRA (0.54) THRATHRBSMPD1TP53MEN1
SCHEMBL13139436 0.79 THRA (0.56) THRATHRBSMPD1
SCHEMBL13139447 0.79 THRA (0.56) THRATHRBSMPD1TP53MEN1

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 THRA 3922/4885THRB 4456/4885WDR5 3494/4885

“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.