SCHEMBL25825634

SCHEMBL25825634

CCCC(C)(CC)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HIF1A Q16665 1/20 0.45
VCAM1 P19320 1/20 0.43
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 5/20 0.38
HTT P42858 4/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR35 Q9HC97 1/20 0.37
LMNA P02545 5/20 0.36
MAPT P10636 4/20 0.36
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36
PKM P14618 1/20 0.36
MITF O75030 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL25825383 0.85 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1CYP3A4MAPK1
SCHEMBL25825465 0.82 ALDH1A1 (0.50) ALDH1A1HIF1AVCAM1CYP3A4MAPK1
SCHEMBL20866516 0.78 RIPK1 (0.39)
SCHEMBL2646002 0.78 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1CYP3A4MAPK1
SCHEMBL29739450 0.78 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1CYP3A4MAPK1
SCHEMBL29739317 0.77 ALDH1A1 (0.55) ALDH1A1HIF1AVCAM1CYP3A4MAPK1
SCHEMBL22224487 0.77 ESR1 (0.41)
SCHEMBL22877812 0.75 ALDH1A1 (0.49) ALDH1A1MAPK1MAPTRECQLCA1
SCHEMBL23059383 0.74 PTPRC (0.51) ALDH1A1TDP1TSHRGAAHTT
SCHEMBL20601374 0.73 ALDH1A1 (0.48) ALDH1A1HIF1AVCAM1MAPK1GAA

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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 ALDH1A1 1303/4885HIF1A 281/4885VCAM1 26/4885

“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.