SCHEMBL3482831

SCHEMBL3482831

Cc1cc(C(C)c2ccc(C(C)c3ccc(N)c(C)c3)cc2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.50
TDP1 Q9NUW8 7/20 0.50
ALDH1A1 P00352 5/20 0.50
TSHR P16473 4/20 0.50
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
S100B P04271 1/20 0.39
MAPK1 P28482 2/20 0.39
SKP2 Q13309 1/20 0.38
HIF1A Q16665 2/20 0.38
GAA P10253 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 2/20 0.37
ALOX15 P16050 2/20 0.37
RECQL P46063 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL2154021 0.98 CYP3A4 (0.52) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL25162018 0.91 CYP3A4 (0.46) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL6033966 0.84 ALDH1A1 (0.54) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL11468860 0.83 ALDH1A1 (0.41) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL5166514 0.81 CYP3A4 (0.54) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL1596340 0.81 CYP3A4 (0.54) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL30749457 0.81 CYP3A4 (0.54) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL551170 0.80 TACR1 (0.38) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL22422833 0.80 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL10029401 0.80 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1TSHRESR1

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 14 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
US-6685997-B1 SOLUTION CONTAINING POLYAMIC ACIDS, POLYAMIDES AND POLYIMIDES; ALIGNMENT FILM; WELL BALANCED ELECTRICAL CHARACTERISTICS; ELIMINATES IMAGE STICKING CHISSO CORPORATION (JP) 2004-02-03 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 CYP3A4 1082/4885TDP1 4164/4885ALDH1A1 1780/4885

“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.