SCHEMBL588036

SCHEMBL588036

O=C1CCc2cc(F)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP2C19 P33261 2/20 0.46
PARP1 P09874 2/20 0.42
PARP10 Q53GL7 1/20 0.42
SRD5A1 P18405 7/20 0.41
NOTUM Q6P988 1/20 0.39
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TYMS P04818 2/20 0.36

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
SCHEMBL3267926 0.92 CYP2A6 (0.54) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL12430513 0.88 NPC1 (0.42) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL6584253 0.85 CYP1A2 (0.50) CYP2A6CYP1A2CYP2C19PARP1PARP10
SCHEMBL6936889 0.80 NPC1 (0.42) CYP2A6PARP1PARP10NOTUMACHE
SCHEMBL8342556 0.79
SCHEMBL3267412 0.76 CYP2A6 (0.48) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL266510 0.75 CYP2A6 (0.54) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL1701852 0.75 CYP2A6 (0.54) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL354022 0.75 CYP2A6 (0.54) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL588130 0.75 CYP2A6 (0.54) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1

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 140 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036628-A Iron death inhibitor, preparation method and application thereof 福建医科大学 2026-05-15 CN disclosed
US-20250326764-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2025-10-23 US disclosed
US-12312359-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2025-05-27 US disclosed
WO-2025077767-A1 NOVEL I-TYPE TOPOISOMERASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊维康医药有限责任公司 2025-04-17 WO disclosed
CN-114075141-B Opioid receptor \"bias\" ligand, preparation method and medical application thereof 上海致根医药科技有限公司 2025-02-25 CN disclosed
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2023-06-08 US disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-11479557-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2022-10-25 US disclosed
US-20220281863-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS REVERIE LABS INC (US) 2022-09-08 US disclosed
CN-114075141-A Opioid receptor 'bias' ligand, preparation method and application thereof in medicine 上海致根医药科技有限公司 2022-02-22 CN disclosed
US-4883815-A CONTROL OR PREVENTION OF CEREBRAL INSUFFICIENCY, IMPROVEMENT OF COGNITIVE FUNCTIONS HOFFMANN-LA ROCHE INC. (US) 1989-11-28 US disclosed
CN-1036952-A Hydrogenated cinnamic acid derivative and its method for making HOFFMANN LA ROCHE (CH) 1989-11-08 CN disclosed
US-4876340-A Benzazecine derivatives for cognitive and memory functions HOFFMANN-LA ROCHE INC. (US) 1989-10-24 US disclosed
EP-0300371-A1 Hydrocinnamic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-01-25 EP disclosed
US-4749791-A Benzo[f]quinoline intermediates HOFFMANN-LA ROCHE INC. (US) 1988-06-07 US disclosed
US-4732979-A CEREBRAL INSUFFICIENCY HOFFMANN-LA ROCHE INC. (US) 1988-03-22 US disclosed
EP-0230967-A2 Benzazecine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-08-05 EP disclosed
EP-0063418-B1 INDANYLOXY- AND TETRALINYLOXY-PHENOXYPROPIONIC ACID DERIVATIVES, PROCESSES FOR PREPARING THEM, AND HERBICIDAL PROCESSES AND COMPOSITIONS UTILISING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-10-03 EP disclosed
US-4431834-A INDAN OR TETRALIN DERIVATIVES; PLANT GROWTH REGULATORS; GRASSES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-14 US disclosed
EP-0063418-A1 Indanyloxy- and tetralinyloxy-phenoxypropionic acid derivatives, processes for preparing them, and herbicidal processes and compositions utilising them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-10-27 EP 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 (5 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-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP2A6 4370/4885CYP1A2 4596/4885CYP3A4 4408/4885
US-20220281863-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CDK9, CDK19, CDK6 CYP2A6 1988/4885CYP1A2 3348/4885CYP3A4 3254/4885
US-12312359-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 CYP2A6 4370/4885CYP1A2 4596/4885CYP3A4 4408/4885
US-11479557-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 CYP2A6 4370/4885CYP1A2 4596/4885CYP3A4 4408/4885
US-20250326764-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP2A6 4370/4885CYP1A2 4596/4885CYP3A4 4408/4885

“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.