SCHEMBL20766587

SCHEMBL20766587

CC(C)c1ccc(C(c2ccc(CN)o2)c2ccc(CN)o2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
CYP2C9 P11712 6/20 0.35
CYP2E1 P05181 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2A6 P11509 3/20 0.35
CYP2B6 P20813 3/20 0.35
CYP2C19 P33261 3/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NQO1 P15559 1/20 0.32
CRHBP P24387 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
CRHR2 Q13324 1/20 0.32
HIF1A Q16665 1/20 0.32

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) CYP2C9CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL20783619 0.85 CYP2A6 (0.35) CYP2C9CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL20767011 0.81 TAAR1 (0.42) CYP2C9CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL20767154 0.81 CYP3A4 (0.50) CYP2C9CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL8224692 0.80 CYP2A6 (0.42) CYP2C9CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL24538772 0.76 CYP2A6 (0.42) CYP2C9CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL9603309 0.76 CYP2A6 (0.42) CYP2C9CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL20766638 0.74 MAPT (0.52) CYP2E1CYP2D6CYP2A6CYP2B6CYP2C19
SCHEMBL20766745 0.71 NFKB1 (0.55) CYP3A4NQO1TYR
SCHEMBL20767168 0.69 GAA (0.40) CYP2E1CYP3A4CYP2D6CYP2A6CYP2B6

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-11629220-B2 Renewable furan based amine curing agents for epoxy thermoset Drexel Unversity (US) 2023-04-18 US claimed
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 claimed
US-20200172658-A1 RENEWABLE FURAN BASED AMINE CURING AGENTS FOR EPOXY THERMOSET DREXEL UNIVERSITY (US) 2020-06-04 US claimed
WO-2019040389-A1 RENEWABLE FURAN BASED AMINE CURING AGENTS FOR EPOXY THERMOSET PALMESE GIUSEPPE R (US) 2019-02-28 WO 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 IDO1 1028/4885CYP2C9 2062/4885CYP2E1 432/4885
US-11629220-B2 Renewable furan based amine curing agents for epoxy thermoset EPHX2, AOC1, EPHX1 IDO1 1028/4885CYP2C9 2062/4885CYP2E1 432/4885

“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.