SCHEMBL30403190

SCHEMBL30403190

O=C(O)CCc1ccc2ccccc2c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.80
▸ FFAR1 O14842 6/20 0.69
▸ PDPK1 O15530 1/20 0.62
▸ KEAP1 Q14145 1/20 0.61
▸ FFAR4 Q5NUL3 3/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ SLC13A5 Q86YT5 1/20 0.58
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HCAR2 Q8TDS4 1/20 0.54

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
SCHEMBL1217683 1.00 CYP1A2 (0.80) CYP1A2FFAR1PDPK1KEAP1FFAR4
Hydrochloric Acid SCHEMBL27401796 0.98 CYP1A2 (0.77) CYP1A2FFAR1PDPK1KEAP1FFAR4
SCHEMBL5593881 0.94 CYP1A2 (0.72) CYP1A2FFAR1PDPK1KEAP1FFAR4
SCHEMBL9670503 0.92 CYP1A2 (0.67) CYP1A2FFAR1PDPK1KEAP1FFAR4
Trifluoroacetic Acid SCHEMBL27484822 0.92 CYP1A2 (0.69) CYP1A2FFAR1PDPK1KEAP1FFAR4
SCHEMBL30061865 0.89 CYP1A2 (1.00) CYP1A2FFAR1PDPK1CYP2D6CYP2C19
SCHEMBL2318140 0.89 CYP1A2 (1.00) CYP1A2FFAR1PDPK1CYP2D6CYP2C19
SCHEMBL5638276 0.87 CYP1A2 (0.90) CYP1A2FFAR1PDPK1CYP2D6CYP2C19
SCHEMBL7332873 0.86 CYP1A2 (0.66) CYP1A2FFAR1PDPK1CYP2D6CYP2C19
SCHEMBL10439522 0.86 CYP1A2 (0.87) CYP1A2FFAR1PDPK1CYP2D6CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036772-A Synthesis method of beta-pinacol borate-alkyl ketone compound 陇东学院 2026-05-15 — — CN claimed
CN-122036772-A Synthesis method of beta-pinacol borate-alkyl ketone compound 陇东学院 2026-05-15 — — CN disclosed
EP-4698229-A1 BISPECIFIC CYTOTOXICITY TARGETING CHIMERAS GlaxoSmithKline Intellectual Property Development Limited (GB) 2026-02-25 — — EP disclosed
US-20250296971-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-09-25 — — US disclosed
CN-120157577-A Application of tetra-n-butyl ammonium bromide as catalyst in catalyzing reaction of methoxyl aromatic hydrocarbon and acyl bromide 皖南医学院 2025-06-17 — — CN disclosed
WO-2024218361-A1 BISPECIFIC CYTOTOXICITY TARGETING CHIMERAS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-10-24 — — WO disclosed
WO-2024140687-A1 S1PR2 REGULATOR AND USE THEREOF 北京昌平实验室 2024-07-04 — — WO disclosed
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 — — CN disclosed
CN-116194155-A Urea-based ligands targeting PSMA for prostate cancer radiotherapy and imaging 哥本哈根大学 2023-05-30 — — CN 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-20250296971-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS GIPR, VIP, GRPR CYP1A2 4178/4885FFAR1 161/4885PDPK1 2822/4885

“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.

Send feedback