SCHEMBL4445179

SCHEMBL4445179

CC(=Cc1ccccc1)c1ccccc1N(C(C)=Cc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.41
TRPM8 Q7Z2W7 4/20 0.39
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C3 P42330 1/20 0.36
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
FBP1 P09467 1/20 0.33
DHODH Q02127 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KDM1A O60341 1/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
PTPN1 P18031 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL379140 0.81 TRPM8 (0.50) NISCHTRPM8ALDH1A1TSHRAKR1C3
SCHEMBL379142 0.81 TRPM8 (0.50) NISCHTRPM8ALDH1A1TSHRAKR1C3
SCHEMBL7715071 0.75 TSHR (0.52) NISCHTRPM8ALDH1A1TSHRAKR1C3
SCHEMBL12411238 0.70 LMNA (0.48) NISCHTRPM8ALDH1A1TSHRAKR1C3
SCHEMBL10973737 0.69 MAPT (0.47) NISCHTRPM8ALDH1A1TSHRAKR1C3
SCHEMBL30495367 0.69 MAPT (0.47) NISCHTRPM8ALDH1A1TSHRAKR1C3
SCHEMBL11203024 0.69 MAPT (0.47) NISCHTRPM8ALDH1A1TSHRAKR1C3
SCHEMBL21808158 0.67 MAPT (0.49) NISCHTRPM8ALDH1A1TSHRAKR1C3
SCHEMBL21808157 0.67 MAPT (0.49) NISCHTRPM8ALDH1A1TSHRAKR1C3
SCHEMBL21340590 0.67 TSHR (0.44) NISCHTRPM8ALDH1A1TSHRAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782921-B1 ORGANIC TUNGSTEN COMPLEXES VANDERBILT CHEMICALS LLC (US) 2018-05-02 EP disclosed
US-8669386-B2 Organic tungsten complexes VANDEBILT CHEMICALS, LLC (US) 2014-03-11 US disclosed
US-20120165563-A1 ORGANIC TUNGSTEN COMPLEXES R.T. VANDERBILT COMPANY, INC. 2012-06-28 US disclosed
EP-2137199-A1 ORGANIC TUNGSTEN COMPLEXES R.T. Vanderbilt Company, Inc. (US) 2009-12-30 EP disclosed
WO-2008116099-A1 ORGANIC TUNGSTEN COMPLEXES R.T. VANDERBILT COMPANY, INC. (US) 2008-09-25 WO disclosed
US-20080234154-A1 ORGANIC TUNGSTEN COMPLEXES R.T. VANDERBILT COMPANY, INC. (US) 2008-09-25 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 (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-20080234154-A1 ORGANIC TUNGSTEN COMPLEXES DGAT2, DGAT1, DGKI NISCH 1670/4885TRPM8 3153/4885ALDH1A1 2307/4885
US-20120165563-A1 ORGANIC TUNGSTEN COMPLEXES ADH5, ELOVL5, ALOX5 NISCH 1479/4885TRPM8 1617/4885ALDH1A1 275/4885

“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.