SCHEMBL128981

SCHEMBL128981

NCCCC1CCCCC1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.81
CYP1A2 P05177 1/20 0.56
RAD52 P43351 1/20 0.45
POLB P06746 1/20 0.40
METAP1 P53582 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
SCHEMBL20821278 1.00 SIGMAR1 (0.81) SIGMAR1CYP1A2RAD52POLBMETAP1
SCHEMBL18823182 1.00 SIGMAR1 (0.81) SIGMAR1CYP1A2RAD52POLBMETAP1
SCHEMBL21944186 1.00 SIGMAR1 (0.81) SIGMAR1CYP1A2RAD52POLBMETAP1
SCHEMBL8392554 1.00 SIGMAR1 (0.81) SIGMAR1CYP1A2RAD52POLBMETAP1
SCHEMBL10451694 1.00 SIGMAR1 (0.81) SIGMAR1CYP1A2RAD52POLBMETAP1
SCHEMBL24733023 1.00 SIGMAR1 (0.81) SIGMAR1CYP1A2RAD52POLBMETAP1
SCHEMBL18430894 1.00 SIGMAR1 (0.81) SIGMAR1CYP1A2RAD52POLBMETAP1
Hydrochloric Acid SCHEMBL1356286 0.97 SIGMAR1 (0.77) SIGMAR1CYP1A2RAD52POLBMETAP1
SCHEMBL734010 0.97
Hydrochloric Acid SCHEMBL7027757 0.94 SIGMAR1 (0.73) SIGMAR1CYP1A2RAD52POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478436-B Multilayer composite polyimide material, and preparation method and application thereof 广东粤港澳大湾区黄埔材料研究院 2025-01-24 CN claimed
CN-118307416-A Method for synthesizing special amine compound by one-step method 中海油天津化工研究设计院有限公司 2024-07-09 CN claimed
CN-116478436-A Multilayer composite polyimide material, and preparation method and application thereof 广东粤港澳大湾区黄埔材料研究院 2023-07-25 CN claimed
CN-113993511-A Methods and formulations for treating visual disorders 杰尼视界公司 2022-01-28 CN claimed
US-20140364566-A1 SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-12-11 US claimed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US claimed
CN-102741269-A Gadd45beta targeting agents IMP INNOVATIONS LTD 2012-10-17 CN claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
EP-1651605-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-05-02 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
EP-1651605-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-05-03 EP claimed
WO-2005011654-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US claimed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US claimed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US claimed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
EP-0443573-A2 HIV protease inhibitors containing derived amino acids BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-0041371-B1 MELT-PROCESSABLE COPOLYAMIDES HAVING AROMATIC AMIDE UNIT AND FIBERS PREPARED THEREFROM UNITIKA LTD. (JP) 1986-08-06 EP claimed
US-4423263-A REACTION WITH N-HALOGENAMINE IN PRESENCE OF PROTON DONOR AND METAL CATALYSTS ANIC, S.P.A. (IT) 1983-12-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 SIGMAR1 153/4885CYP1A2 257/4885RAD52 2581/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 SIGMAR1 125/4885CYP1A2 296/4885RAD52 3187/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 SIGMAR1 4339/4885CYP1A2 4371/4885RAD52 1380/4885

“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.