SCHEMBL25510568

SCHEMBL25510568

Cc1cc(C(C)C)n(-c2cccc(C(C)C)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCGR1A P12314 1/20 0.46
PLK1 P53350 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
NOTUM Q6P988 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CTSK P43235 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL15341808 0.85 ALDH1A1 (0.45) FCGR1APLK1ALDH1A1MAPK1CYP1A2
SCHEMBL17051086 0.85 ALDH1A1 (0.61) FCGR1APLK1ALDH1A1MAPK1CYP1A2
SCHEMBL9906371 0.84 CYP2C19 (0.59) FCGR1AALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL18161149 0.83 GAA (0.58) PLK1ALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL25511208 0.79 PTGS1 (0.46) PLK1CTSK
SCHEMBL21254105 0.76 NPC1 (0.69) FCGR1AALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL17051068 0.75 MAPK1 (0.43) FCGR1AALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL18161148 0.73 PPARA (0.47) FCGR1AALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL17051085 0.73 POLB (0.57) FCGR1AALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL17051067 0.73 ALDH1A1 (0.43) FCGR1AALDH1A1MAPK1CYP1A2CYP2C19

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-20230147428-A1 BENZIMIDAZOLONE-BASED CINNAMAMIDE DERIVATIVE AS TRPV1 ANTAGONIST AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF PAIN CONTAINING SAME AS ACTIVE INGREDIENT JMACKEM CO., LTD (KR) 2023-05-11 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-20230147428-A1 BENZIMIDAZOLONE-BASED CINNAMAMIDE DERIVATIVE AS TRPV1 ANTAGONIST AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF PAIN CONTAINING SAME AS ACTIVE INGREDIENT TRPV1, TRPA1, TRPV5 FCGR1A 2387/4885PLK1 3163/4885ALDH1A1 1330/4885

“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.