SCHEMBL7166353

SCHEMBL7166353

CCCCCC#Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MMP2 P08253 1/20 0.48
MMP12 P39900 1/20 0.48
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
TNK2 Q07912 1/20 0.38

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
SCHEMBL5886568 0.98 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL29187197 0.98 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL21623413 0.90 HDAC8 (0.42) FFAR1FFAR4MMP2MMP12CYP3A4
SCHEMBL21623404 0.88 DRD2 (0.41) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL21623412 0.86 HDAC8 (0.42) FFAR1CYP3A4CYP2D6CHRNB2CHRNA4
SCHEMBL5886652 0.84 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1838704 0.81 KDM4E (0.46) FFAR1FFAR4CYP3A4CHRNB2CHRNA4
SCHEMBL5314931 0.80 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5886588 0.79 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL3064618 0.79 CHRNB2 (0.67) MMP2MMP12KCNH2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688634-B2 Pest control agent ISHIHARA SANGYO KAISHA, LTD. (JP) 2017-06-27 US disclosed
US-9688634-B2 Pest control agent ISHIHARA SANGYO KAISHA, LTD. (JP) 2017-06-27 US disclosed
CN-105142401-A Pest control agent ISHIHARA SANGYO KAISHA 2015-12-09 CN disclosed
US-20150336894-A1 PEST CONTROL AGENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2015-11-26 US disclosed
US-20150336894-A1 PEST CONTROL AGENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2015-11-26 US disclosed
EP-2934137-A1 PEST CONTROL AGENT Ishihara Sangyo Kaisha, Ltd. (JP) 2015-10-28 EP disclosed
EP-2934137-A1 PEST CONTROL AGENT Ishihara Sangyo Kaisha, Ltd. (JP) 2015-10-28 EP disclosed
WO-2014098259-A1 PEST CONTROL AGENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-06-26 WO disclosed
WO-2014098259-A1 PEST CONTROL AGENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-06-26 WO disclosed
EP-0886754-B1 NON-COMPETITIVE IMMUNOASSAY WITH BLOCKING OF UNOCCUPIED SPECIFIC BINDING SITES ON SOLID PHASE WALLAC OY (FI) 2003-01-22 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-20150336894-A1 PEST CONTROL AGENT DDT, CTRL, PTP4A1 FFAR1 4608/4885FFAR4 3671/4885MMP2 715/4885

“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.