SCHEMBL20767154

SCHEMBL20767154

NCc1ccc(C(c2ccccc2)c2ccc(CN)o2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
CYP2D6 P10635 4/20 0.50
CYP2C9 P11712 4/20 0.50
CYP2C19 P33261 4/20 0.50
CYP2E1 P05181 3/20 0.50
CYP2A6 P11509 3/20 0.50
CYP2B6 P20813 3/20 0.50
TAAR1 Q96RJ0 4/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C8 P10632 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
DPP4 P27487 2/20 0.34
F2 P00734 1/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 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
SCHEMBL20783618 0.90 CYP2D6 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL20783619 0.81 CYP2A6 (0.35) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL20766587 0.81 IDO1 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL20767011 0.81 TAAR1 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL9603321 0.74 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL20783620 0.71 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL15047772 0.71 CYP2D6 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL24538772 0.70 CYP2A6 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL9603309 0.70 CYP2A6 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL246123 0.70 CYP2A6 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1

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-20200172658-A1 RENEWABLE FURAN BASED AMINE CURING AGENTS FOR EPOXY THERMOSET DREXEL UNIVERSITY (US) 2020-06-04 US claimed
US-11629220-B2 Renewable furan based amine curing agents for epoxy thermoset Drexel Unversity (US) 2023-04-18 US disclosed
EP-3672947-A1 RENEWABLE FURAN BASED AMINE CURING AGENTS FOR EPOXY THERMOSET The United States of America as represented by the Secretary of the Army (US) 2020-07-01 EP disclosed
US-20200172658-A1 RENEWABLE FURAN BASED AMINE CURING AGENTS FOR EPOXY THERMOSET DREXEL UNIVERSITY (US) 2020-06-04 US disclosed
US-20200172658-A1 RENEWABLE FURAN BASED AMINE CURING AGENTS FOR EPOXY THERMOSET DREXEL UNIVERSITY (US) 2020-06-04 US disclosed
WO-2019040389-A1 RENEWABLE FURAN BASED AMINE CURING AGENTS FOR EPOXY THERMOSET PALMESE GIUSEPPE R (US) 2019-02-28 WO disclosed
WO-2019040389-A1 RENEWABLE FURAN BASED AMINE CURING AGENTS FOR EPOXY THERMOSET PALMESE GIUSEPPE R (US) 2019-02-28 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 (2 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-20200172658-A1 RENEWABLE FURAN BASED AMINE CURING AGENTS FOR EPOXY THERMOSET EPHX2, AOC1, EPHX1 CYP3A4 1895/4885CYP2D6 2493/4885CYP2C9 2062/4885
US-11629220-B2 Renewable furan based amine curing agents for epoxy thermoset EPHX2, AOC1, EPHX1 CYP3A4 1895/4885CYP2D6 2493/4885CYP2C9 2062/4885

“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.