SCHEMBL352378

SCHEMBL352378

C#Cc1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.42
KEAP1 Q14145 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
CYP2C9 P11712 1/20 0.33
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 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
SCHEMBL1306384 0.87 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7994765 0.87 APP (0.47) CA12CA1CA2CA9CA14
SCHEMBL1306505 0.85 APP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2854252 0.80 CYP1A1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19174201 0.78 CYP1A1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL440124 0.78 GRM5 (0.50) CA12CA1CA2CA9GABRA1
SCHEMBL3347257 0.76 GRM5 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1230907 0.76 APP (0.48) CA12CA1CA2CA4CA9
SCHEMBL853691 0.76 CYP2A6 (0.48) HDAC8CA12CA2CA9CA14
SCHEMBL4736294 0.76 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650374-B2 Photochromic tetrahydroindolizines UMM AL-QURA UNIVERSITY (SA) 2017-05-16 US disclosed
US-20160122338-A1 NOVEL PHOTOCHROMIC TETRAHYDROINDOLIZINES UMM AL-QURA UNIVERSITY (SA) 2016-05-05 US disclosed
US-20150198552-A9 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2015-07-16 US disclosed
US-8951400-B2 Chemistry used in biosensors OHMX CORPORATION (US) 2015-02-10 US disclosed
US-20140311922-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2014-10-23 US disclosed
US-8734631-B2 Chemistry used in biosensors OHMX CORPORATION (US) 2014-05-27 US disclosed
WO-2012012537-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2012-01-26 WO disclosed
US-20120012472-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2012-01-19 US disclosed
EP-2210268-A1 NOVEL CHEMISTRY USED IN BIOSENSORS Ohmx Corporation (US) 2010-07-28 EP disclosed
US-20090253149-A1 Novel Chemistry Used in Biosensors OHMX CORPORATION (US) 2009-10-08 US disclosed
WO-2009052436-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2009-04-23 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 (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-20160122338-A1 NOVEL PHOTOCHROMIC TETRAHYDROINDOLIZINES DHPS, TPH2, DHX15 HDAC8 1807/4885KEAP1 75/4885CA12 2970/4885
US-20120012472-A1 NOVEL CHEMISTRY USED IN BIOSENSORS SSBP1, OSGEP, OCIAD2 HDAC8 4350/4885KEAP1 4173/4885CA12 1534/4885

“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.