SCHEMBL4810645

SCHEMBL4810645

O=C1c2ccccc2CCC1c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.76
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
CES1 P23141 1/20 0.45
GRIN2B Q13224 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
HTR1A P08908 1/20 0.44
ACHE P22303 1/20 0.44
HTR2B P41595 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL15292027 1.00 CYP19A1 (0.76) CYP19A1DDB1CRBNCES1GRIN2B
SCHEMBL20585273 1.00 CYP19A1 (0.76) CYP19A1DDB1CRBNCES1GRIN2B
SCHEMBL15874625 1.00 CYP19A1 (0.76) CYP19A1DDB1CRBNCES1GRIN2B
SCHEMBL9149653 0.89 CYP19A1 (0.62) CYP19A1DDB1CRBNCES1SIGMAR1
SCHEMBL13267868 0.86 CYP19A1 (0.68) CYP19A1SIGMAR1HTR2BMAPTDRD2
SCHEMBL9375189 0.86 CYP19A1 (0.68) CYP19A1SIGMAR1HTR1ALMNACYP1A2
SCHEMBL15874815 0.86 CYP19A1 (0.68) CYP19A1SIGMAR1HTR2BMAPTDRD2
SCHEMBL9148195 0.86 CYP19A1 (1.00) CYP19A1DDB1CRBNTP53MAPT
SCHEMBL15875019 0.86 CYP19A1 (0.68) CYP19A1SIGMAR1HTR1ALMNACYP1A2
SCHEMBL19322772 0.84 CYP19A1 (0.64) CYP19A1CES1ACHETP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO claimed
EP-0346226-B1 PROCESS FOR THE PREPARATION OF 4-ARYL DISUBSTITUTED-1-TETRALONES SYNTHELABO (FR) 1993-02-17 EP claimed
EP-4276188-A1 METHOD FOR SYNTHESIZING CHIRAL AMINE COMPOUND Asymchem Laboratories (Tianjin) Co., Ltd. (CN) 2023-11-15 EP disclosed
EP-4273237-A1 TRANSAMINASE MUTANT AND APPLICATION THEREOF Asymchem Laboratories (Tianjin) Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-3551639-B1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INT (DE) 2023-08-23 EP disclosed
EP-3551639-B1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INT (DE) 2023-08-23 EP disclosed
CN-113527130-B Synthesis method of alpha-amide, alpha-aryl quaternary carboketone compound 兰州大学 2023-07-18 CN disclosed
CN-113527130-A Synthetic method of alpha-amide and alpha-aryl quaternary carbon ketone compound 兰州大学 2021-10-22 CN disclosed
CN-111233599-B Aromatic ring ortho-iodoalkanone and synthetic method and application thereof 兰州大学 2021-07-20 CN disclosed
EP-0583346-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1994-02-23 EP disclosed
EP-0267734-B1 Chemical compounds ZENECA LTD (GB) 1994-01-26 EP disclosed
WO-1992018462-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1992-10-29 WO disclosed
US-5041610-A Resorcyclic acid lactone derivatives as animal growth promotants INTERNATIONAL MINERALS & CHEMICAL CORP. (US) 1991-08-20 US disclosed
US-5019655-A Method of preparing 4-dichlorophenyl-1-tetralones DELALANDE S.A. (FR) 1991-05-28 US disclosed
US-5019655-A Method of preparing 4-dichlorophenyl-1-tetralones DELALANDE S.A. (FR) 1991-05-28 US disclosed
US-4877811-A FUNGICIDES, INSECTICIDES, MITICIDES, PLANTH GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-10-31 US disclosed
EP-0267734-A2 Chemical compounds ZENECA LIMITED (GB) 1988-05-18 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-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 CYP19A1 1884/4885DDB1 754/4885CRBN 3187/4885

“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.