SCHEMBL1008399

SCHEMBL1008399

COC(=O)C(Br)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ATM Q13315 1/20 0.53
ALDH1A1 P00352 2/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
MIF P14174 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL15447037 0.87 PPARG (0.52)
SCHEMBL2340596 0.84 MMP8 (0.58) POLBALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL7832330 0.84 L3MBTL1 (0.49) POLBATMNPC1RAB9AMIF
SCHEMBL15446289 0.84 HDAC1 (0.52) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL6284438 0.83 ATM (0.54) POLBATMALDH1A1THRBCYP2C9
SCHEMBL27829680 0.83 CYP1A2 (0.48) POLBALDH1A1HSD17B10NPC1RAB9A
SCHEMBL10766993 0.82 MAPT (0.57) ATMALDH1A1THRBCYP2C9CYP2C19
Phenylalanine Methyl Ester SCHEMBL6437673 0.82 SLC7A5 (0.56) ATMKMT2AMEN1CA12CA2
SCHEMBL15451590 0.82 NOS2 (0.46) POLBALDH1A1KMT2AL3MBTL1
SCHEMBL10976508 0.82 NOS2 (0.51) KMT2AMEN1CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9249616-A None JP disclosed
CN-118955244-A Method for preparing primary alcohol by homogeneously catalyzing and reducing carboxylic acid derivative by using N-heterocyclic carbene copper complex 延安大学 2024-11-15 CN disclosed
CN-117402183-A Boron-containing compound and medical application thereof 正大天晴药业集团股份有限公司 2024-01-16 CN disclosed
CN-117285517-A Pyrimidinone derivative and pharmaceutical composition, preparation method and application thereof 上海美悦生物科技发展有限公司 2023-12-26 CN disclosed
WO-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 WO disclosed
WO-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 WO disclosed
CN-116143752-A Compound containing heterocycloalkyl or cycloalkyl and medical application thereof 正大天晴药业集团股份有限公司 2023-05-23 CN disclosed
CN-108290849-B Contrast agents 伯拉考成像股份公司 2022-03-22 CN disclosed
US-11180479-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-11-23 US disclosed
US-11180479-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-11-23 US disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 US disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 WO disclosed
US-4723031-A Processes for synthesizing substituted and unsubstituted aminoacetate esters CHEVRON RESEARCH COMPANY (US) 1988-02-02 US disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed
US-4643762-A Herbicidal 5-amino-3-oxo-4-(3-substituted-phenyl)-4-pyrroline and derivatives thereof CHEVRON RESEARCH COMPANY (US) 1987-02-17 US disclosed
EP-0020052-B1 NOVEL SUBSTITUTED NITRODIPHENYL ETHERS, HERBICIDAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION THEREOF AND THE USE THEREOF FOR COMBATING WEEDS ROHM AND HAAS COMPANY (US) 1983-07-20 EP disclosed
EP-0066217-A1 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them, processes for the preparation thereof and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1982-12-08 EP disclosed
US-4277395-A OF ELASTASE; OLIGOPEPTIDES RICHARDSON-MERRELL INC. (US) 1981-07-07 US disclosed
EP-0020052-A1 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them, processes for the preparation thereof and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1980-12-10 EP 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-11180479-B2 Antiviral compounds PLA2G1B, PLA2G4A, PLA2G4C POLB 968/4885ATM 4593/4885ALDH1A1 2141/4885

“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.