SCHEMBL4850585

SCHEMBL4850585

c1ccc2c(COCc3cccc4ccccc34)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2D6 P10635 1/20 0.52
HSP90AB1 P08238 1/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
PARP10 Q53GL7 1/20 0.49
ACP3 P15309 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL31012122 1.00 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9CYP2D6HSP90AB1
Hydroxyamine SCHEMBL8924246 0.94 MEN1 (0.53) CYP1A2CYP2C19CYP2C9CYP2D6HSP90AB1
SCHEMBL9707213 0.90 TSHR (0.58) CYP1A2CYP2C19CYP2C9CYP2D6HSP90AB1
Sulfuric Acid SCHEMBL28586052 0.88 TDP1 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6HSP90AB1
SCHEMBL327701 0.87 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6CNR1
SCHEMBL10815296 0.87 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6HSP90AB1
SCHEMBL2108040 0.87 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6HSP90AB1
SCHEMBL10884842 0.84 TDP1 (0.46) CYP1A2CYP2C19CYP2C9CYP2D6CNR1
SCHEMBL4614172 0.84 HTR1B (0.53) CYP1A2CYP2C19CYP2C9CYP2D6CNR1
SCHEMBL29641182 0.84 HTR1B (0.53) CYP1A2CYP2C19CYP2C9CYP2D6CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435049-B2 Synthesis of vinylic protected alcohol intermediates AMGEN INC. (US) 2025-10-07 US claimed
CN-119585901-A Pre-lithiated electrode material, method for producing same, secondary battery, and power utilization device 宁德时代新能源科技股份有限公司 2025-03-07 CN claimed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN claimed
CN-117090046-A Composition for reducing malodor and use thereof 阿吉莱克斯香料和香水公司 2023-11-21 CN claimed
CN-115197114-A Aromatic selenium cyanogen ester compound and green synthesis method and application thereof 南宁师范大学 2022-10-18 CN claimed
CN-111170941-A Preparation method of 1-cyclopropyl-6, 7-difluoro-8-methoxy fluoroquinolone-3-carboxylic ester 江西农业大学 2020-05-19 CN claimed
CN-106831360-B Process method for continuously preparing β -naphthyl methyl ether 南京师范大学 2020-05-05 CN claimed
CN-110551153-A Preparation method for synthesizing tenofovir alafenamide by three-step method UNIV JIANGXI AGRICULTURAL 2019-12-10 CN claimed
EP-3083558-B1 PROCESS FOR THE PRODUCTION OF PHTHALIMIDES LANXESS DEUTSCHLAND GMBH (DE) 2017-11-15 EP claimed
US-7378410-B2 Substituted lactams and their use as anti-cancer agents NOVARTIS AG (CH) 2008-05-27 US claimed
US-20060281731-A1 Substituted lactams and their use as anti-cancer agents BAIR, KENNETH WALTER 2006-12-14 US claimed
EP-1651633-A1 SUBSTITUTED LACTAMS AND THEIR USE AS ANTI-CANCER AGENTS Novartis AG (CH) 2006-05-03 EP claimed
WO-2005014574-A1 SUBSTITUTED LACTAMS AND THEIR USE AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2005-02-17 WO claimed
EP-0557419-B1 GRANULAR DETERGENT OR BLEACHING COMPOSITIONS CONTAINING AMIDOPEROXYACID BLEACH AND PERFUME PROCTER & GAMBLE (US) 1996-01-17 EP claimed
CN-117980454-B Aldehyde composition 三菱瓦斯化学株式会社 2026-05-19 CN disclosed
CN-119384487-A Aldehyde composition 三菱瓦斯化学株式会社 2025-01-28 CN disclosed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN disclosed
EP-0492940-A1 Process for producing and purifying 3,4-dihydrocoumarin SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-07-01 EP disclosed
EP-0474075-A2 Aromatic condensation products BAYER AG (DE) 1992-03-11 EP disclosed
EP-0025496-A1 Maytansinoids, their production and therapeutic compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-03-25 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 (2 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-20060281731-A1 Substituted lactams and their use as anti-cancer agents TOP1, TOP2A, TOP2B CYP1A2 2183/4885CYP2C19 769/4885CYP2C9 1111/4885
US-12435049-B2 Synthesis of vinylic protected alcohol intermediates MCL1, BCL2A1, BAK1 CYP1A2 1998/4885CYP2C19 4485/4885CYP2C9 4218/4885

“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.