SCHEMBL3761876

SCHEMBL3761876

O=C1c2ccccc2CCC1Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.80
SIGMAR1 Q99720 4/20 0.68
HTR1A P08908 2/20 0.68
CYP26A1 O43174 2/20 0.58
ACHE P22303 1/20 0.56
MAOB P27338 1/20 0.54
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53

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
SCHEMBL28733987 1.00 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1ACYP26A1ACHE
SCHEMBL30275056 1.00 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1ACYP26A1ACHE
SCHEMBL10033952 0.90 SIGMAR1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1ACHE
SCHEMBL29679563 0.89 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1MAOB
SCHEMBL13851845 0.89 CYP19A1 (1.00) CYP19A1SIGMAR1HTR1ACYP26A1
SCHEMBL31112261 0.89 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1MAOB
SCHEMBL31112302 0.89 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1
SCHEMBL7247938 0.89 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1ACHE
SCHEMBL28733981 0.89 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1MAOB
SCHEMBL7249261 0.89 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751118-B Preparation method of chiral alpha-alkyl-alpha-benzyl tetralone compound 苏州凯若利新材料科技有限公司 2025-05-30 CN disclosed
CN-118221511-A NNP-Mn catalyst, preparation method and method for synthesizing alpha-alkyl ketone 西安近代化学研究所 2024-06-21 CN disclosed
CN-116751118-A Preparation method of chiral alpha-alkyl-alpha-benzyl tetralone compound 苏州凯若利新材料科技有限公司 2023-09-15 CN disclosed
CN-116102430-A Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2023-05-12 CN disclosed
CN-111807971-B Alkylation synthesis method for in-situ catalysis of alcohols 中山大学 2023-03-24 CN disclosed
CN-112694449-B Asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone catalyzed by nonmetal catalyst 中国科学院化学研究所 2022-05-24 CN disclosed
CN-112694449-A Novel nonmetal catalyst for catalyzing asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone 中国科学院化学研究所 2021-04-23 CN disclosed
CN-111807971-A Alkylation synthesis method for in-situ catalysis of alcohols 中山大学 2020-10-23 CN disclosed
CN-106478325-B A method of synthesis alpha-alkyl ketone 南京理工大学 2019-06-25 CN disclosed
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-20030191279-A1 Urea derivatives useful as anticancer agents GOLDSTEIN STEVEN WAYNE (US) 2003-10-09 US disclosed
US-6576632-B1 Such as 3'-((Benzyl-(2-benzyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-carbamoyl)-methyl)-biphenyl-3-carboxylic acid PFIZER INC 2003-06-10 US disclosed
CN-1329589-A N-aralkylamino 1,2,3, 4-tetrahydronaphthalenes as ligands of neuropeptide YY5 receptor ORTHO MCNEIL PHARM INC (US) 2002-01-02 CN disclosed
US-6117874-A AROMATIC RING-SUBSTITUTED 4-HYDROXYTETRAHYDROQUINOLINES PFIZER INC. (US) 2000-09-12 US disclosed
US-5939452-A TREATMENT OF ANTIINFLAMMATORY SKIN DISORDERS, AUTOIMMUNE DISORDERS PFIZER INC (US) 1999-08-17 US disclosed
CN-1166834-A Benzopyram and benzo-fused compounds, their preparation and their use as leukotriene B4'(LTB4) antagonists PFIZER (US) 1997-12-03 CN disclosed
CN-1160399-A Benzopyran and benzo-fused compounds, their preparation and their use as leukotriene B4 (LTB4) antagonists PFIZER (US) 1997-09-24 CN disclosed
EP-0785935-A1 BENZOPYRAN AND BENZO-FUSED COMPOUNDS, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B4' (LTB4) ANTAGONISTS PFIZER INC. (US) 1997-07-30 EP disclosed
WO-1996011925-A1 BENZOPYRAN AND BENZO-FUSED COMPOUNDS, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B4' (LTB4) ANTAGONISTS PFIZER INC. (US) 1996-04-25 WO disclosed
US-4738972-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1988-04-19 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-20030191279-A1 Urea derivatives useful as anticancer agents CCNA1, CCNE1, CCND1 CYP19A1 2314/4885SIGMAR1 2522/4885HTR1A 4175/4885

“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.