SCHEMBL4402199

SCHEMBL4402199

BrCCCc1cccc(CCCBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOS1 P29475 2/20 0.44
TAAR1 Q96RJ0 3/20 0.41
CYP2D6 P10635 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
LMNA P02545 1/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL9671720 0.92 TDP1 (0.44) TDP1MEN1KMT2ANOS1TAAR1
SCHEMBL2181233 0.90 LPL (0.43) TDP1MEN1KMT2ANOS1TAAR1
SCHEMBL9860710 0.90 LPL (0.43) TDP1MEN1KMT2ANOS1TAAR1
SCHEMBL80925 0.89 TP53 (0.41) TDP1MEN1KMT2ANOS1LPL
SCHEMBL7597599 0.89 ALOX15 (0.50) TDP1MEN1KMT2ANOS1TAAR1
SCHEMBL7598359 0.89 ALOX15 (0.39) TDP1MEN1KMT2ANOS1TAAR1
SCHEMBL18761741 0.89 TDP1 (0.48) TDP1MEN1KMT2ANOS1CYP2D6
SCHEMBL82275 0.86 TAAR1 (0.61) TDP1TAAR1CYP2D6MAOBCYP1A2
SCHEMBL8830150 0.84 TDP1 (0.38) TDP1MEN1KMT2ANOS1TAAR1
SCHEMBL7899949 0.84 MAOB (0.61) TDP1NOS1TAAR1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116212960-B Aryloxy cyclic ether skeleton metal complex catalyst and preparation method and application thereof 万华化学集团股份有限公司 2025-02-18 CN disclosed
CN-118903087-A Functionalized long chain hydrocarbon mono-and dicarboxylic acids useful in the prevention or treatment of disease 埃斯佩尔维塔治疗股份有限公司 2024-11-08 CN disclosed
CN-114126593-B Functionalized long chain hydrocarbon mono-and dicarboxylic acids useful in the prevention or treatment of disease 埃斯佩尔维塔治疗股份有限公司 2024-07-26 CN disclosed
EP-4003314-B1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS USEFUL FOR THE PREVENTION OR TREATMENT OF DISEASE ESPERVITA THERAPEUTICS INC (US) 2024-07-10 EP disclosed
CN-116212960-A Aryloxy cyclic ether skeleton metal complex catalyst and preparation method and application thereof 万华化学集团股份有限公司 2023-06-06 CN disclosed
EP-4003314-A1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS USEFUL FOR THE PREVENTION OR TREATMENT OF DISEASE Espervita Therapeutics, Inc. (US) 2022-06-01 EP disclosed
WO-2021021563-A1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS USEFUL FOR THE PREVENTION OR TREATMENT OF DISEASE ESPERVITA THERAPEUTICS, INC. (US) 2021-02-04 WO disclosed
US-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 US disclosed
US-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-07-07 US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 US disclosed
US-7557126-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-07-07 US disclosed
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-11-01 US disclosed
US-7250414-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2007-07-31 US disclosed
WO-2005087763-A9 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2005-10-27 WO disclosed
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-4223172-A DEHYDROGENATION HALOGENATIVE WITH PALLADIUM-PHOSPHINE COMPLEX CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-09-16 US disclosed
US-3939084-A Functional fluid compositions containing substituted pyrimidines MONSANTO COMPANY (US) 1976-02-17 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 (4 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-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 TDP1 2472/4885MEN1 4525/4885KMT2A 1331/4885
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 TDP1 3041/4885MEN1 1011/4885KMT2A 1381/4885
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 TDP1 3041/4885MEN1 1011/4885KMT2A 1381/4885
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA5, CHRNA4 TDP1 1731/4885MEN1 4255/4885KMT2A 976/4885

“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.