SCHEMBL882702

SCHEMBL882702

O=C1CCCc2cc3ccccc3nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
GLA P06280 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL31180494 1.00 MAPT (0.47) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL28373617 0.89 NPC1 (0.50) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL29993094 0.79 KDM4E (0.70) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL14082011 0.79 KDM4E (0.58) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL10286531 0.79 PDE3B (0.41) KDM4EKMT2ATSHRALDH1A1MAOA
SCHEMBL10286521 0.79 KDM4E (0.39) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL10286621 0.79 ALDH1A1 (0.43) MAPTRAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL10286624 0.79 MEN1 (0.43) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL10286605 0.79 PDE3B (0.41) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL15155336 0.79 KMT2A (0.40) NPC1RAB9AKDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809289-A1 SAMPLE COLLECTION DEVICES WITH BLOOD STABILIZING AGENTS Becton, Dickinson and Company (US) 2014-12-10 EP disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
WO-2013116702-A1 SAMPLE COLLECTION DEVICES WITH BLOOD STABILIZING AGENTS BECTON, DICKINSON AND COMPANY (US) 2013-08-08 WO disclosed
CN-101652433-B Pigment dispersion composition, curable composition, color filter and method for producing the same FUJIFILM CORP 2013-05-22 CN disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012121998-A1 BLOOD COLLECTION DEVICE CONTAINING LYSOPHOSPHOLIPASE INHIBITOR BECTON, DICKINSON AND COMPANY (US) 2012-09-13 WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 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 (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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 MAPT 4566/4885NPC1 2400/4885RAB9A 2112/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO MAPT 4719/4885NPC1 3975/4885RAB9A 2972/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT MAPT 4671/4885NPC1 4340/4885RAB9A 3345/4885

“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.