SCHEMBL4867909

SCHEMBL4867909

C#CCCN1CCOC1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
PIK3CD O00329 2/20 0.37
NQO2 P16083 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PER2 O15055 1/20 0.32
CRY2 Q49AN0 1/20 0.32
GRM2 Q14416 1/20 0.32
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KMT2A Q03164 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL19348130 0.89 KDM4E (0.43) KDM4EPIK3CDNQO2CNR1CNR2
SCHEMBL9311528 0.82 KDM4E (0.50) KDM4EPIK3CDNQO2CNR1CNR2
SCHEMBL6177645 0.80
SCHEMBL1712876 0.75
SCHEMBL3966487 0.74 ALDH1A1 (0.41) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL510010 0.74
SCHEMBL20105 0.74
SCHEMBL2781821 0.74
SCHEMBL17162612 0.74
SCHEMBL16373804 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof PURDUE RESEARCH FOUNDATION (US) 2008-12-04 US disclosed
US-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof PURDUE RESEARCH FOUNDATION (US) 2008-12-04 US disclosed
US-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof PURDUE RESEARCH FOUNDATION (US) 2008-12-04 US disclosed
WO-2008119028-A1 ALKENYLDIARYLMETHANES HAVING NITROGEN-CONTAINING CARBOXYLIC ACID DERIVATIVES CUSHMAN MARK S (US) 2008-10-02 WO disclosed
WO-2007005531-A2 ALKENYLDIARYLMETHANES, FUSED ANALOGS AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2007-01-11 WO disclosed
WO-2007005531-A2 ALKENYLDIARYLMETHANES, FUSED ANALOGS AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2007-01-11 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 (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-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof POLRMT, PNP, TYMS KDM4E 1291/4885PIK3CD 2794/4885NQO2 266/4885

“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.