SCHEMBL3208243

SCHEMBL3208243

O=Cc1ccc2ccccc2c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
DNMT1 P26358 1/20 0.43
ERN1 O75460 1/20 0.43
POLB P06746 2/20 0.42
PTPN1 P18031 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 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
SCHEMBL7643518 0.88 DNMT1 (0.48) WDR5LMNAMAPTDNMT1ERN1
SCHEMBL29521593 0.88 DNMT1 (0.48) WDR5LMNAMAPTDNMT1ERN1
SCHEMBL27699917 0.87 WDR5 (0.39) WDR5LMNAMAPTNPC1RAB9A
SCHEMBL10013781 0.84 ERN1 (0.48) MAPTDNMT1ERN1POLBPTPN1
SCHEMBL28421802 0.82 MAPT (0.47) WDR5LMNAMAPTNPC1RAB9A
SCHEMBL9857388 0.82 KMT2A (0.49) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2354613 0.81 MAPT (0.43) WDR5LMNAMAPTNPC1RAB9A
SCHEMBL28802272 0.80 WDR5 (0.41) WDR5LMNAMAPTNPC1RAB9A
SCHEMBL21020048 0.79 DNMT1 (0.50) WDR5LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL30570799 0.79 DNMT1 (0.50) WDR5LMNAMAPTRAB9ASMN1; SMN2

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-108250229-B Method for synthesizing axial chiral biaryl compound by palladium-catalyzed asymmetric alkynylation 浙江大学 2020-08-25 CN disclosed
CN-108250229-A A kind of method synthesis axial chirality biaryl compound of palladium chtalyst asymmetry alkynyl 浙江大学 2018-07-06 CN disclosed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN disclosed
US-20120302752-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-11-29 US disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP disclosed
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN disclosed
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed
CN-1040332-A Fluorine-containing aromatic sulfonic acid catalyzer and method for making and purposes MITSUI PETROCHEMICAL IND (JP) 1990-03-14 CN disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 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 (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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 WDR5 821/4885LMNA 1019/4885MAPT 8/4885
US-20120302752-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters DDC, AOC2, AOC3 WDR5 4415/4885LMNA 2879/4885MAPT 2194/4885

“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.