SCHEMBL10270945

SCHEMBL10270945

CCCN(C(=O)/C=C/c1ccc(OC)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 9/20 1.00
LMNA P02545 1/20 0.55
BCHE P06276 1/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GSK3B P49841 1/20 0.52
SNCA P37840 1/20 0.52
F3 P13726 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HSPD1 P10809 1/20 0.51
TNFRSF1A P19438 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL18575785 0.91 TRPM8 (0.84) TRPM8LMNABCHECYP3A4NFKB1
SCHEMBL18536909 0.91 TRPM8 (0.83) TRPM8LMNABCHECYP3A4NFKB1
SCHEMBL29779967 0.87 TRPM8 (0.77) TRPM8LMNABCHECYP3A4NFKB1
SCHEMBL20777273 0.87 TRPM8 (0.77) TRPM8LMNABCHECYP3A4NFKB1
SCHEMBL10270952 0.86 TRPM8 (1.00) TRPM8LMNABCHESNCAMEN1
SCHEMBL22100701 0.86 TRPM8 (0.75) TRPM8LMNABCHECYP3A4NFKB1
SCHEMBL4129308 0.85 TRPM8 (0.74) TRPM8LMNABCHECYP3A4NFKB1
SCHEMBL4129312 0.85 TRPM8 (0.74) TRPM8LMNABCHECYP3A4NFKB1
SCHEMBL18536980 0.85 TRPM8 (0.74) TRPM8CYP3A4NPC1RAB9AALDH1A1
SCHEMBL30532218 0.82 TRPM8 (1.00) TRPM8LMNABCHECYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829451-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2020-11-10 US disclosed
EP-2501761-B1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2020-06-17 EP disclosed
EP-3663366-A2 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS Symrise AG (DE) 2020-06-10 EP disclosed
US-20180162817-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2018-06-14 US disclosed
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2018-04-05 US disclosed
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2018-04-05 US disclosed
US-9718839-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2017-08-01 US disclosed
US-9718839-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2017-08-01 US disclosed
WO-2017032443-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2017-03-02 WO disclosed
EP-3133067-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2017-02-22 EP disclosed
US-20150086491-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2015-03-26 US disclosed
US-20150086491-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2015-03-26 US disclosed
US-8927605-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2015-01-06 US disclosed
US-8927605-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2015-01-06 US disclosed
US-20120263659-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2012-10-18 US disclosed
US-20120263659-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2012-10-18 US disclosed
WO-2011061330-A9 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2012-01-05 WO disclosed
WO-2011061330-A2 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2011-05-26 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 (5 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-20180162817-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, ALDH1A2, PDE6A TRPM8 52/4885LMNA 4267/4885BCHE 584/4885
US-10829451-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A TRPM8 52/4885LMNA 4267/4885BCHE 584/4885
US-20150086491-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 TRPM8 1/4885LMNA 1782/4885BCHE 3695/4885
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 TRPM8 1/4885LMNA 1782/4885BCHE 3695/4885
US-20120263659-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 TRPM8 1/4885LMNA 1782/4885BCHE 3695/4885

“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.