SCHEMBL4178222

SCHEMBL4178222

CCOC(=O)CCCC(C)Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 2/20 0.45
TRPA1 O75762 1/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL3517667 0.94 CYP1A2 (0.52) CYP1A2ALDH1A1TRPA1KMT2APOLB
SCHEMBL10578789 0.92 CYP1A2 (0.50) CYP1A2ALDH1A1TRPA1KMT2APOLB
SCHEMBL15009773 0.92 CYP1A2 (0.50) CYP1A2ALDH1A1TRPA1KMT2APOLB
SCHEMBL2715956 0.92 CYP1A2 (0.50) CYP1A2ALDH1A1TRPA1KMT2APOLB
SCHEMBL1206813 0.88 L3MBTL1 (0.50) CYP1A2ALDH1A1TRPA1KMT2APOLB
SCHEMBL27809939 0.86 CYP1A2 (0.55) CYP1A2ALDH1A1TRPA1KMT2APOLB
SCHEMBL127142 0.83 CYP1A2 (0.57) CYP1A2ALDH1A1TRPA1KMT2APOLB
SCHEMBL9263719 0.82 CYP1A2 (0.52) CYP1A2ALDH1A1TRPA1KMT2APOLB
SCHEMBL21262163 0.82 CYP1A2 (0.52) CYP1A2ALDH1A1TRPA1KMT2APOLB
SCHEMBL1674842 0.82 CYP1A2 (0.52) CYP1A2ALDH1A1TRPA1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116890-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC (US) 2026-04-30 US disclosed
US-20240352027-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2024-10-24 US disclosed
EP-4313991-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS Nuvation Bio Inc. (US) 2024-02-07 EP disclosed
CN-117295747-A Anti-cancer nuclear hormone receptor targeting compounds 诺维逊生物股份有限公司 2023-12-26 CN disclosed
US-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-12-05 US disclosed
CN-116685594-A Triarylborane catalysts and methods for selective hydrosilylation of esters and lactones using the same 阿尔迪斯化学有限责任公司 2023-09-01 CN disclosed
US-20220340587-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-10-27 US disclosed
WO-2022204184-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2022-09-29 WO disclosed
CN-105418412-B Hypoglycemic activity compound and its medical usage 中国人民解放军军事医学科学院毒物药物研究所 2018-07-06 CN disclosed
CN-105418412-A Hypoglycemic active compound and pharmaceutical application thereof INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA 2016-03-23 CN disclosed
EP-0917528-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-05-26 EP disclosed
EP-0573498-B1 ALIPHATIC PROPARGYLAMINES AS SELECTIVE MAO-B INHIBITORS AND AS NEUROPROTECTIVE AGENTS UNIV SASKATCHEWAN (CA) 1998-11-18 EP disclosed
US-5760032-A GASTROINTESTINAL DISORDERS AND NERVOUS SYSTEM DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-06-02 US disclosed
WO-1998001422-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-01-15 WO disclosed
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed
US-5508311-A Aliphatic propargylamines as selective MAO-B inhibitors and as neuroprotective agents UNIVERSITY OF SASKATCHEWAN (CA) 1996-04-16 US disclosed
EP-0573498-A1 ALIPHATIC PROPARGYLAMINES AS SELECTIVE MAO-B INHIBITORS AND AS NEUROPROTECTIVE AGENTS UNIVERSITY OF SASKATCHEWAN (CA) 1993-12-15 EP disclosed
WO-1992015551-A1 ALIPHATIC PROPARGYLAMINES AS SELECTIVE MAO-B INHIBITORS AND AS NEUROPROTECTIVE AGENTS UNIVERSITY OF SASKATCHEWAN (CA) 1992-09-17 WO disclosed
US-4885373-A AMINE DERVIVATIVES USED AS ANTIDEPRESSANT AND DOPAMINERGIC STIMULANTS ADIR ET CIE (FR) 1989-12-05 US disclosed
US-4863951-A ANTIDEPRESSANTS, ANTIAGRESSIVES, DOPAMINERGIC PROPERTIES ADIR ET CIE (FR) 1989-09-05 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-20240352027-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NCOA1, NCOR1, NCOA3 CYP1A2 4095/4885ALDH1A1 3398/4885TRPA1 4734/4885
US-20220340587-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NCOA1, NCOR1, NCOA3 CYP1A2 4095/4885ALDH1A1 3398/4885TRPA1 4734/4885
US-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 CYP1A2 4095/4885ALDH1A1 3398/4885TRPA1 4734/4885
US-20260116890-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NR5A1, NR3C1, NCOR1 CYP1A2 3558/4885ALDH1A1 2758/4885TRPA1 3759/4885

“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.