SCHEMBL3482836

SCHEMBL3482836

CC(c1cccc(N)c1N)c1cccc(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.48
CYP3A4 P08684 7/20 0.42
TSHR P16473 4/20 0.42
PIK3CA P42336 1/20 0.42
ALDH1A1 P00352 6/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GABRA1 P14867 3/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRB2 P47870 2/20 0.37
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
GABRB1 P18505 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL29407112 0.85 CYP3A4 (0.48) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL104522 0.85 CYP3A4 (0.48) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL16756297 0.85 TYR (0.42) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL10503258 0.83 CYP3A4 (0.48) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL28680565 0.82 CD44 (0.42) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL992768 0.81 CD44 (0.44) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL18341001 0.81 CD44 (0.44) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL732167 0.79 CYP3A4 (0.47) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL29765571 0.79 CYP3A4 (0.47) CD44CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL7734000 0.79 CD44 (0.46) CD44CYP3A4TSHRPIK3CAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420764-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2013-04-16 US disclosed
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20120178894-A1 COMPOUND HAVING SILSESQUIOXANE SKELETON AND ITS POLYMER INAGAKI JYUN-ICHI (JP) 2012-07-12 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed
US-7705105-B2 A cyclic polymer of silsesquioxane skeleton with side chains formed byhydrosilation of an unsaturated end group containing an active polymerfunctional group; polyimidesiloxane copolymers; polyestersiloxane copolymers; high molecular weight; thin films; strength; heat resistance;waterproofing; CHISSO PETROCHEMICAL CORPORATION (JP) 2010-04-27 US disclosed
US-7507450-B2 Varnish for forming liquid crystal alignment layer and liquid crystal display element using the same CHISSO CORPORATION (JP) 2009-03-24 US disclosed
US-7373060-B2 Optical waveguide using polymer composed of silsesquioxane derivative CHISSO CORPORATION (JP) 2008-05-13 US disclosed
US-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 US disclosed
US-20060204192-A1 Optical waveguide using polymer composed of silsesquioxane derivative JNC CORPORATION (JP) 2006-09-14 US disclosed
US-20060204680-A1 Varnish for forming liquid crystal alignment layer and liquid crystal display element using the same JNC CORPORATION (JP) 2006-09-14 US disclosed
US-6949281-B1 Varnish composition and liquid-crystal display element CHISSO CORPORATION (JP) 2005-09-27 US disclosed
US-20050009982-A1 Compound having silsesquioxane skeleton and its polymer CHISSO CORPORATION (JP) 2005-01-13 US disclosed
US-6746730-B1 VARNISH COMPOSITION WHICH COMPRISES POLYMER COMPONENT CONTAINING TWO DIFFERENT POLYAMIC ACIDS, SOLUBLE POLYIMIDE, AND SOLVENT FOR DISSOLVING POLYMER COMPONENT CHISSO CORPORATION (JP) 2004-06-08 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 (1 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-20050009982-A1 Compound having silsesquioxane skeleton and its polymer C1S, H1-4, H1-0 CD44 1012/4885CYP3A4 1082/4885TSHR 4554/4885

“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.