SCHEMBL1831978

SCHEMBL1831978

O=C(O)c1ccc(CCCBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.59
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
RARA P10276 1/20 0.56
MAPT P10636 1/20 0.56
MTOR P42345 1/20 0.56
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
TBXAS1 P24557 2/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.47
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
SRD5A2 P31213 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
Hydrochloric Acid SCHEMBL6139910 0.98 RARB (0.58) RARBALDH1A1KMT2AMEN1RARA
SCHEMBL11359808 0.96 RARB (0.62) RARBALDH1A1KMT2AMEN1RARA
SCHEMBL83677 0.87 ALDH1A1 (0.56) RARBALDH1A1KMT2AMEN1RARA
SCHEMBL133470 0.87 RARB (0.68) RARBALDH1A1KMT2AMEN1RARA
SCHEMBL371605 0.87 RARB (0.71) RARBALDH1A1KMT2AMEN1RARA
SCHEMBL1560685 0.86 RARB (0.53) RARBALDH1A1KMT2AMEN1RARA
SCHEMBL27786791 0.85 THRA (0.50) RARBMAPTTHRATHRBHSD17B10
Bromide SCHEMBL27719615 0.85 ALDH1A1 (0.54) RARBALDH1A1KMT2AMEN1RARA
SCHEMBL30053056 0.85 RARB (0.72) RARBALDH1A1KMT2AMEN1RARA
SCHEMBL28873230 0.85 RARB (0.72) RARBALDH1A1KMT2AMEN1RARA

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
CN-118420855-A Polyelectrolyte material with high alkali resistance and high conductivity 广东鸣洋科技有限公司 2024-08-02 CN disclosed
CN-116987061-A 4-methyl quinazoline derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-11-03 CN disclosed
CN-102757444-B There is the benzofuran compounds of nitric oxide donors character NANJING XINNUOTHAI PHARMACEUTICAL CO., LTD. (CN) 2016-02-10 CN disclosed
CN-102757444-A Benzofuran compound with nitrous oxide donor property JIANGSU SIMCERE PHARM RES CO 2012-10-31 CN disclosed
US-8008296-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-08-30 US disclosed
EP-2322506-A1 Histamine H3 receptor agents, preparation and therapeutic uses Eli Lilly and Company (US) 2011-05-18 EP disclosed
US-20100160319-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES BEAVERS LISA SELSAM 2010-06-24 US disclosed
EP-1904442-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-04-02 EP disclosed
WO-2007005503-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-01-11 WO disclosed
CN-1246315-C Aminoalkylbenzoyl-benzofuran or benzothiophene derivatives, process for their preparation and compositions containing them SANOFI SYNTHELABO (FR) 2006-03-22 CN disclosed
US-4711900-A LIPOXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1987-12-08 US disclosed
US-4469865-A INHIBITORS OF THROMBOXANE SYNTHETASE KISSEI PHARMACEUTICAL CO., LTD. (JP) 1984-09-04 US disclosed
EP-0076140-A2 1,3-Disubstituted imidazoles and a process for their production Kissei Pharmaceutical Co. Ltd. (JP) 1983-04-06 EP disclosed
US-4175203-A TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS MERCK & CO., INC. (US) 1979-11-20 US disclosed
US-4150235-A ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4140861-A RENAL DISFUNCTION, ANTIBODY INHIBITORS MERCK & CO., INC. (US) 1979-02-20 US disclosed
US-4112236-A Interphenylene 8-aza-9-dioxothia-11,12-secoprostaglandins MERCK & CO., INC. (US) 1978-09-05 US disclosed
US-4097496-A ANTIPROSTAGLANDIN ACTIVITY HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4083990-A ANTIPROSTAGLANDIN EFFECT HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3984459-A ANTI-PROSTAGLANDINS HOECHST AKTIENGESELLSCHAFT (DT) 1976-10-05 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 (1 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-20100160319-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 RARB 3007/4885ALDH1A1 2259/4885KMT2A 100/4885

“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.