SCHEMBL2964976

SCHEMBL2964976

OC(O)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
PDE2A O00408 6/20 0.46
PNMT P11086 1/20 0.37
PTPN5 P54829 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CES1 P23141 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL22717043 0.84 PDE2A (0.61) CES2PDE2ACYP3A4CYP2D6ORAI1
SCHEMBL23675536 0.84 PDE2A (0.61) CES2PDE2ACYP3A4CYP2D6ORAI1
SCHEMBL19696153 0.84 PDE2A (0.61) CES2PDE2ACYP3A4CYP2D6ORAI1
SCHEMBL7599544 0.81 CES2 (0.47) CES2PDE2APNMTPTPN5KDM4E
SCHEMBL6679457 0.80 CES2 (0.51) CES2PDE2AKDM4ECES1ALDH1A1
SCHEMBL6679460 0.80 CES2 (0.51) CES2PDE2AKDM4ECES1ALDH1A1
SCHEMBL6701810 0.80 CES2 (0.51) CES2PDE2AKDM4ECES1ALDH1A1
SCHEMBL12868145 0.79 PDE2A (0.46) CES2PDE2APTPN5ALDH1A1KIF11
SCHEMBL12388640 0.79 PDE2A (0.55) CES2PDE2APNMTPTPN5KDM4E
SCHEMBL2957243 0.79 CES2 (0.46) CES2PDE2APTPN5HSD17B10IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198285-A1 Method for Producing an Organic Electronic Component, and Organic Electronic Component NOVALED GMBH (DE) 2021-07-01 US disclosed
US-8298830-B2 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-30 US disclosed
US-20100310424-A1 ORGANIC MATERIALS ABLE TO DETECT ANALYTES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-09 US disclosed
US-7759127-B2 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-20 US disclosed
US-7700366-B2 Fluorescent, semi-conductive polymers, and devices comprising them MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-04-20 US disclosed
US-20060073607-A1 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-04-06 US disclosed
US-20050196775-A1 Fluorescent, semi-conductive polymers, and devices comprising them MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-08 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-20210198285-A1 Method for Producing an Organic Electronic Component, and Organic Electronic Component AP2M1, OR10J3, OPRM1 CES2 1506/4885PDE2A 4862/4885PNMT 315/4885

“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.