SCHEMBL3929101

SCHEMBL3929101

COc1ccc2c(C(C)O)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
MTNR1A P48039 5/20 0.46
MTNR1B P49286 4/20 0.45
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
KRAS P01116 1/20 0.42
ABCB11 O95342 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3929104 1.00 CYP2D6 (0.50) CYP2D6CYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL1901839 0.87 MTNR1A (0.59) CYP1A2CYP2A6MTNR1AMTNR1BKRAS
SCHEMBL14242763 0.86 CYP1A2 (0.57) CYP2D6CYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL21562577 0.83 CYP1A2 (0.48) CYP2D6CYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL11275219 0.83 CYP1A2 (0.48) CYP2D6CYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL29123896 0.83 CYP1A2 (0.48) CYP2D6CYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL11739561 0.83 CYP2D6 (0.48) CYP2D6CYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL3930770 0.83 MTNR1A (0.52) CYP2D6CYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL3930766 0.83 MTNR1A (0.52) CYP2D6CYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL7031139 0.81 PTGS2 (0.57) CYP1A2MTNR1AMTNR1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117776902-A Preparation method of naproxen 帕潘纳(北京)科技有限公司 2024-03-29 CN disclosed
CN-117229137-A Method for preparing naproxen 帕潘纳(北京)科技有限公司 2023-12-15 CN disclosed
EP-1934159-B1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-03-25 EP disclosed
US-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-01-29 US disclosed
EP-1934159-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2008-06-25 EP disclosed
WO-2007036570-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 WO disclosed
US-20050283020-A1 Process for the preparation of 2-aryl propionic acids CHAUDHARI RAGHUNATH V 2005-12-22 US disclosed
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP disclosed
US-6660883-B1 Conversion of aryl alkyl compound such as aryl alkyl alcohols and aryl alkyl halides COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-12-09 US disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1031629-A2 Method of preparation of stereoisomeric carboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-08-30 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 (3 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-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS ADH5, ADH1C, ADH1A CYP2D6 82/4885CYP1A2 65/4885CYP2A6 45/4885
US-20050283020-A1 Process for the preparation of 2-aryl propionic acids ADH1C, ADH5, ADH1A CYP2D6 194/4885CYP1A2 53/4885CYP2A6 32/4885
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA CYP2D6 807/4885CYP1A2 453/4885CYP2A6 296/4885

“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.