SCHEMBL4773858

SCHEMBL4773858

CCCCc1ccc(CBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.54
▸ CA1 P00915 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ESR1 P03372 2/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SHBG P04278 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ ADRB3 P13945 1/20 0.50

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
SCHEMBL20874475 0.93 RARB (0.56) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL8081798 0.93 ESR1 (0.59) CA2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL8496560 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL177117 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL9579598 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL4810276 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL9154487 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL9253594 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL8702332 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL10986143 0.87 RARB (0.58) ALDH1A1HSD17B10HPGDESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS J. MICHAEL BISHOP INSTITUTE OF CANCER RESEARCH (CN) 2024-08-15 — — US disclosed
EP-4277897-A1 FUSED AZEPINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2023-11-22 — — EP disclosed
CN-115246834-B Aldrisin derivative, preparation thereof and application thereof in preventing and treating plant viruses, killing insects and killing bacteria 南开大学 2023-10-13 — — CN disclosed
CN-116710442-A Compounds, compositions and methods for treating disorders 成都安泰康赛生物科技有限公司 2023-09-05 — — CN disclosed
CN-115246834-A Aldisin derivative, preparation thereof and application thereof in preventing and treating plant viruses, killing insects and killing bacteria 南开大学 2022-10-28 — — CN disclosed
WO-2022152097-A1 FUSED AZEPINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2022-07-21 — — WO disclosed
US-9957213-B2 Organic compound, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO. (JP) 2018-05-01 — — US disclosed
US-9957213-B2 Organic compound, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO. (JP) 2018-05-01 — — US disclosed
CN-102781884-B Process for producing alpha-olefin oligomer MITSUBISHI CHEMICAL CORP. (JP) 2015-11-25 — — CN disclosed
CN-104926589-A Process for producing alpha-olefin oligomer MITSUBISHI CHEM CORP 2015-09-23 — — CN disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 — — EP disclosed
US-5877339-A Process for preparing methyl dithiocarbazinate by reacting methyl bromide with the reaction product of carbon disulfide and hydrazine in an aqueous medium BAYER CORPORATION (US) 1999-03-02 — — US disclosed
US-5861526-A Process for reducing dithiocarbazinate buildup in the preparation of methyl dithiocarbazinate BAYER CORPORATION (US) 1999-01-19 — — US disclosed
EP-0866793-A4 — — 1998-10-07 — — EP disclosed
EP-0866793-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1998-09-30 — — EP disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 — — WO disclosed
EP-0841325-A2 A process for preparing methyl dithiocarbazinate by reacting methyl bromide with the reaction product of carbon disulfide and hydrazine in an aqueous medium Bayer Corporation (US) 1998-05-13 — — EP disclosed
EP-0841324-A2 A proces for preparing methyl dithiocarbazinate by reacting methyl bromide with the reaction product of carbon disulfide, hydrazine and an adjunct base Bayer Corporation (US) 1998-05-13 — — EP disclosed
US-5668127-A MYCOBACTERIUM TUBERCULOSIS, CLOSTRIDIUM PATHOGENESIS CORPORATION (US) 1997-09-16 — — US disclosed
WO-1997001562-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1997-01-16 — — WO 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-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, PNLIP, GOT2 CA2 2447/4885CA1 1979/4885ALDH1A1 461/4885

“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.

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