SCHEMBL3431533

SCHEMBL3431533

CCCCC[n+]1ccc(N(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.77
KDM4A O75164 2/20 0.70
KDM2A Q9Y2K7 2/20 0.70
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
CHRM2 P08172 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52

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
SCHEMBL9329669 0.98 CHKA (0.81) CHKAKDM4AKDM2AKMT2AMEN1
SCHEMBL17817509 0.98 CHKA (0.81) CHKAKDM4AKDM2AKMT2AMEN1
Fluoride Ion SCHEMBL21758528 0.98 CHKA (0.74) CHKAKDM4AKDM2AKMT2AMEN1
SCHEMBL17817506 0.98 CHKA (0.81) CHKAKDM4AKDM2AKMT2AMEN1
SCHEMBL1108055 0.98 CHKA (0.81) CHKAKDM4AKDM2AKMT2AMEN1
SCHEMBL23016755 0.98 CHKA (0.81) CHKAKDM4AKDM2AKMT2AMEN1
Fluoride Ion SCHEMBL21758539 0.96 CHKA (0.78) CHKAKDM4AKDM2AKMT2AMEN1
Hydrochloric Acid SCHEMBL6115401 0.96 CHKA (0.78) CHKAKDM4AKDM2AKMT2AMEN1
Bromide SCHEMBL3039129 0.96 CHKA (0.85) CHKAKDM4AKDM2AKMT2AMEN1
Hydrochloric Acid SCHEMBL9328425 0.96 CHKA (0.78) CHKAKDM4AKDM2AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9109238-B2 Synthesis of diester-based lubricants from enzymatically-directed epoxides CHEVRON U.S.A. INC. (US) 2015-08-18 US disclosed
US-20150140623-A1 Synthesis of Diester-Based Lubricants from Enzymatically-Directed Epoxides NOVOZYMES A/S (DK) 2015-05-21 US disclosed
WO-2010056832-A2 SYNTHESIS OF DIESTER-BASED LUBRICANTS FROM ENZYMATICALLY-DIRECTED EPOXIDES CHEVRON U.S.A. INC. (US) 2010-05-20 WO disclosed
US-20100120642-A1 SYNTHESIS OF DIESTER-BASED LUBRICANTS FROM ENZYMATICALLY-DIRECTED EPOXIDES CHEVRON U.S.A. INC. (US) 2010-05-13 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 (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-20150140623-A1 Synthesis of Diester-Based Lubricants from Enzymatically-Directed Epoxides DGAT2, ADH1A, ELOVL1 CHKA 950/4885KDM4A 2029/4885KDM2A 2349/4885

“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.