SCHEMBL7752270

SCHEMBL7752270

CC1Cc2c(ccc3ccccc23)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.53
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
HPGD P15428 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTT P42858 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
NCOA1 Q15788 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
ANPEP P15144 1/20 0.43
GLA P06280 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RCE1 Q9Y256 1/20 0.41
CYP19A1 P11511 1/20 0.41
DNMT1 P26358 1/20 0.40
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3150632 0.83 ACHE (0.58) ACHEKDM4EALDH1A1CYP1A2HPGD
SCHEMBL6917132 0.83 ACHE (0.54) ACHEKDM4EALDH1A1CYP1A2HPGD
SCHEMBL5953419 0.79 ACHE (0.57) ACHEKDM4EALDH1A1CYP1A2HPGD
SCHEMBL5953118 0.78 ACHE (0.49) ACHEKDM4ECYP1A2CYP2C19HTT
SCHEMBL5952132 0.76 ACHE (0.54) ACHEKDM4EALDH1A1HPGDGAA
SCHEMBL3150892 0.76 ACHE (0.54) ACHEKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5952137 0.74 ACHE (0.64) ACHEKDM4EALDH1A1CYP1A2HPGD
SCHEMBL5953541 0.73 HTR1A (0.52) ACHECYP2C19CYP2C9
SCHEMBL3154249 0.73 ACHE (0.54) ACHEMAPT
SCHEMBL1825039 0.72 ACHE (0.49) ACHEANPEPMAPTCYP19A1DNMT1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861522-A Production of bridged metallocene complexes and intermediates therefor ALBEMARLE CORPORATION (US) 1999-01-19 US claimed
EP-0854876-A2 PRODUCTION OF BRIDGED METALLOCENE COMPLEXES AND INTERMEDIATES THEREFOR ALBEMARLE CORPORATION (US) 1998-07-29 EP claimed
US-5710299-A Production of bridged metallocene complexes and intermediates therefor ALBEMARLE CORPORATION (US) 1998-01-20 US claimed
WO-1997049712-A2 PRODUCTION OF BRIDGED METALLOCENE COMPLEXES AND INTERMEDIATES THEREFOR ALBEMARLE CORPORATION (US) 1997-12-31 WO claimed
US-20200062874-A1 METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF PETROCHINA COMPANY LIMITED (CN) 2020-02-27 US disclosed
US-20180079843-A1 METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF PETROCHINA COMPANY LIMITED (CN) 2018-03-22 US disclosed
US-6245944-B1 REACTING SUBSTITUTED NAPHTHALENE WITH METHACRYLOYL HALIDE IN PRESENCE OF FRIEDEL-CRAFTS CATALYST IN CHLORINATED HYDROCARBON SOLVENT AT TEMPERATURES BETWEEN-30 AND 0 DEGREES C. IN ONE STEP TO YIELD SUBSTITUTED INDANONE BASF AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
EP-0906260-B1 PROCESS FOR PRODUCING SUBSTITUTED INDANONES BASF AG (DE) 2001-01-03 EP disclosed
US-5942636-A Process of preparing 2-alkyl-2,3-dihydro-1H-benz e!indene-1-one derivatives AKZO NOBEL N.V. (NL) 1999-08-24 US disclosed
EP-0906260-A1 PROCESS FOR PRODUCING SUBSTITUTED INDANONES BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
US-5861522-A Production of bridged metallocene complexes and intermediates therefor ALBEMARLE CORPORATION (US) 1999-01-19 US disclosed
EP-0856506-A1 Process of preparing 2-alkyl-2,3-dihydro-1H-benz(e)indene-1-one derivatives Akzo Nobel N.V. (NL) 1998-08-05 EP disclosed
EP-0854876-A2 PRODUCTION OF BRIDGED METALLOCENE COMPLEXES AND INTERMEDIATES THEREFOR ALBEMARLE CORPORATION (US) 1998-07-29 EP disclosed
US-5710299-A Production of bridged metallocene complexes and intermediates therefor ALBEMARLE CORPORATION (US) 1998-01-20 US disclosed
WO-1997049661-A1 PROCESS FOR PRODUCING SUBSTITUTED INDANONES BASF AKTIENGESELLSCHAFT (DE) 1997-12-31 WO disclosed
WO-1997049712-A2 PRODUCTION OF BRIDGED METALLOCENE COMPLEXES AND INTERMEDIATES THEREFOR ALBEMARLE CORPORATION (US) 1997-12-31 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 (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-20180079843-A1 METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF NR4A2, NR4A1, ORC3 ACHE 3615/4885KDM4E 3552/4885ALDH1A1 3715/4885
US-20200062874-A1 METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF ORC3, ORMDL3, OR51E2 ACHE 3485/4885KDM4E 3517/4885ALDH1A1 3511/4885

“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.