SCHEMBL30362161

SCHEMBL30362161

Cc1cc(C)c(-c2c3ccccc3[n+](C)c3ccccc23)c(C)c1.F[B-](F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.65
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL20425759 1.00 ACHE (0.65) ACHECYP1A2CYP2A6
SCHEMBL2200368 0.93 ACHE (0.55) ACHECYP1A2CYP2A6
SCHEMBL29463725 0.93 ACHE (0.55) ACHECYP1A2CYP2A6
Perchlorate SCHEMBL10009695 0.87 ACHE (0.49) ACHECYP1A2CYP2A6
Perchlorate SCHEMBL29876325 0.87 ACHE (0.49) ACHECYP1A2CYP2A6
SCHEMBL20425740 0.83 ACHE (0.46) ACHECYP1A2CYP2A6
SCHEMBL29890052 0.83 ACHE (0.46) ACHECYP1A2CYP2A6
SCHEMBL3972008 0.78 ACHE (0.74) ACHE
SCHEMBL29411838 0.78 ACHE (0.74) ACHE
SCHEMBL18292171 0.75 TERT (0.40) ACHECYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739648-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2026-05-13 EP claimed
WO-2025079090-A1 SUBSTITUTED 4-HETEROATOM-ISOQUINOLONE COMPOUNDS, PROCESS OF PREPARATION AND APPLICATIONS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2025-04-17 WO claimed
WO-2025011972-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2025-01-16 WO claimed
WO-2024103022-A1 POLYDOPAMINE ENCAPSULATED MATERIALS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2024-05-16 WO claimed
EP-4739648-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2026-05-13 EP disclosed
US-20250221966-A1 RXFP1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-07-10 US disclosed
WO-2025079090-A1 SUBSTITUTED 4-HETEROATOM-ISOQUINOLONE COMPOUNDS, PROCESS OF PREPARATION AND APPLICATIONS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2025-04-17 WO disclosed
CN-119144609-B Nucleic acid composition for detecting canine coronavirus and canine parvovirus, kit and application 上海基灵生物科技有限公司 2025-03-11 CN disclosed
WO-2025026536-A1 A METHOD FOR PHOTOCATALYTIC DOPING OF AN ORGANIC SEMICONDUCTOR N-INK AB (SE) 2025-02-06 WO disclosed
WO-2025011972-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2025-01-16 WO disclosed
CN-119144609-A Nucleic acid composition for detecting canine coronavirus and canine parvovirus, kit and application 上海基灵生物科技有限公司 2024-12-17 CN disclosed
CN-118843613-A RXFP1 agonists 百时美施贵宝公司 2024-10-25 CN disclosed
EP-4422746-A1 RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-09-04 EP disclosed
WO-2024103022-A1 POLYDOPAMINE ENCAPSULATED MATERIALS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2024-05-16 WO disclosed
US-20230398527-A1 ACRIDINIUM-BASED PHOTOREDOX CATALYSTS, SYNTHESIS AND USE THEREOF IN OXIDATIVE CLEAVAGE OF C-O BONDS UNIV RENNES (FR) 2023-12-14 US disclosed
WO-2023076626-A1 RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-04 WO 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 (2 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-20230398527-A1 ACRIDINIUM-BASED PHOTOREDOX CATALYSTS, SYNTHESIS AND USE THEREOF IN OXIDATIVE CLEAVAGE OF C-O BONDS PPOX, DCXR, LPO ACHE 899/4885CYP1A2 237/4885CYP2A6 1731/4885
US-20250221966-A1 RXFP1 AGONISTS RXFP1, RXFP2, RXFP3 ACHE 4776/4885CYP1A2 1125/4885CYP2A6 2572/4885

“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.