SCHEMBL3482656

SCHEMBL3482656

Nc1ccc(OC2(Oc3ccc(N)cc3)CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 5/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.39
NFE2L2 Q16236 1/20 0.38
MAOA P21397 2/20 0.37
MAPT P10636 6/20 0.36
KDM4E B2RXH2 2/20 0.36
TEAD4 Q15561 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 3/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
GFER P55789 1/20 0.34
NLRP1 Q9C000 1/20 0.34

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
SCHEMBL16406559 0.78 ACHE (0.41) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL10942041 0.77 SLC6A4 (0.38) TSHRSLC6A4SLC6A3LTA4H
SCHEMBL16406624 0.76 ACHE (0.42) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL25283157 0.75 MAPT (0.50) ALDH1A1L3MBTL1TDP1CYP3A4TSHR
SCHEMBL21556050 0.71 TDP1 (0.46) ALDH1A1L3MBTL1TDP1CYP3A4TSHR
SCHEMBL18346482 0.71 CA2 (0.33) ALDH1A1KDM4E
SCHEMBL9073781 0.70 LTA4H (0.39) TSHRGAASLC6A4NPSR1LTA4H
SCHEMBL4315741 0.69 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1CYP3A4TSHR
SCHEMBL1305910 0.69 ALDH1A1 (0.77) ALDH1A1L3MBTL1TDP1CYP3A4TSHR
SCHEMBL18346484 0.68 CA2 (0.34)

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 9 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-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-20050009982-A1 Compound having silsesquioxane skeleton and its polymer CHISSO CORPORATION (JP) 2005-01-13 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 ALDH1A1 1780/4885L3MBTL1 1418/4885TDP1 4164/4885

“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.