SCHEMBL2553746

SCHEMBL2553746

O=C/C=C/c1cc(Cl)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.66
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
ABL1 P00519 1/20 0.49
ABCB1 P08183 1/20 0.49
BCR P11274 1/20 0.49
XDH P47989 2/20 0.48
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
AR P10275 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL2553748 1.00 ERN1 (0.66) ERN1CDK4CCND1ABL1ABCB1
SCHEMBL31074940 0.85 CDK4 (0.55) ERN1CDK4CCND1XDHHSP90AA1
SCHEMBL20292376 0.85 CDK4 (0.55) ERN1CDK4CCND1XDHHSP90AA1
SCHEMBL11530954 0.82 ERN1 (0.96) ERN1MEN1KMT2ALMNAMAPT
SCHEMBL3437049 0.80 ALDH1A1 (0.59) CDK4CCND1XDHMEN1KMT2A
SCHEMBL28908860 0.80 TDP1 (0.47) ERN1CDK4CCND1XDHMAPK1
SCHEMBL28908861 0.80 TDP1 (0.47) ERN1CDK4CCND1XDHMAPK1
SCHEMBL3437050 0.80 ALDH1A1 (0.59) CDK4CCND1XDHMEN1KMT2A
SCHEMBL247839 0.79 ERN1 (1.00) ERN1MEN1KMT2ALMNAMAPT
SCHEMBL29694515 0.79 ERN1 (1.00) ERN1MEN1KMT2ALMNAMAPT

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-10179781-B2 Sodium channel modulators for the treatment of pain CHROMOCELL CORPORATION 2019-01-15 US disclosed
US-10179781-B2 Sodium channel modulators for the treatment of pain CHROMOCELL CORPORATION 2019-01-15 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-3043787-B1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES CHROMOCELL CORP (US) 2018-09-05 EP disclosed
EP-2968234-B1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORP (US) 2018-06-27 EP disclosed
EP-2968234-B1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORP (US) 2018-06-27 EP disclosed
US-20170304306-A1 SELECTIVE NaV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES CHROMOCELL CORPORATION (US) 2017-10-26 US disclosed
US-20160046617-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORPORATION (US) 2016-02-18 US disclosed
US-20160046617-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORPORATION (US) 2016-02-18 US disclosed
US-20160046617-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORPORATION (US) 2016-02-18 US disclosed
EP-2968234-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Chromocell Corporation (US) 2016-01-20 EP disclosed
CN-105188694-A Sodium channel modulators for the treatment of pain CHROMOCELL CORP 2015-12-23 CN disclosed
WO-2014151472-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORPORATION (US) 2014-09-25 WO disclosed
WO-2014151472-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORPORATION (US) 2014-09-25 WO disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 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 (3 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-10179781-B2 Sodium channel modulators for the treatment of pain SCN7A, SCN10A, SCN2A ERN1 3345/4885CDK4 4331/4885CCND1 4641/4885
US-20160046617-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN SCN7A, SCN10A, SCN2A ERN1 3345/4885CDK4 4331/4885CCND1 4641/4885
US-20170304306-A1 SELECTIVE NaV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES SCN7A, SCN1A, SCN1B ERN1 1538/4885CDK4 2322/4885CCND1 2455/4885

“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.