SCHEMBL5535228

SCHEMBL5535228

CC(C)(C)C(=O)/C=C(\O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13725734 1.00 TSHR (0.38) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL13725736 1.00 TSHR (0.38) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31022746 0.97 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31099433 0.97 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31369145 0.97 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31671111 0.97 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31462151 0.97 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31663664 0.97 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL21410657 0.97 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31048535 0.97 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10

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 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678304-B1 HYDROGENATION OF DIENALS WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE FIRMENICH & CIE (CH) 2016-04-20 EP claimed
US-8871982-B2 Hydrogenation of dienals with rhodium complexes under carbon monoxide free atmosphere FIRMENICH SA (CH) 2014-10-28 US claimed
US-20130331611-A1 HYDROGENATION OF DIENALS WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE FIRMENICH SA (CH) 2013-12-12 US claimed
WO-2012150053-A1 HYDROGENATION OF DIENALS WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE FIRMENICH SA (CH) 2012-11-08 WO claimed
US-20230403933-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-12-14 US disclosed
US-20230329081-A1 Light Emitting Device and Composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-12 US disclosed
US-20230303601-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-28 US disclosed
US-11770941-B2 Film production method SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-26 US disclosed
WO-2023174956-A1 COMPOUNDS FOR THE MEASUREMENT OF THE OXYGEN CONCENTRATION Center for Neuromusculoskeletal Restorative Medicine Limited (CN) 2023-09-21 WO disclosed
US-11760817-B2 Mass polymerizable polycycloolefin compositions containing soluble photoacid generators PROMERUS, LLC (US) 2023-09-19 US disclosed
US-20230265243-A1 DUAL CATALYST SYSTEM FOR MASS VINYL ADDITION AND CATIONIC POLYMERIZABLE COMPOSITIONS PROMERUS, LLC (US) 2023-08-24 US disclosed
US-20230227486-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-07-20 US disclosed
US-7326473-B2 Organic electroluminescent devices Kido, Junji (JP) 2008-02-05 US disclosed
US-7238615-B2 Formation method for metal element, production method for semiconductor device, production method for electronic device, semiconductor device, electronic device, and electronic equipment SEIKO EPSON CORPORATION (JP) 2007-07-03 US disclosed
US-20060073357-A1 Carbazole compounds and use of such compounds in organic electroluminiscent devices KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2006-04-06 US disclosed
US-20060051611-A1 Electroluminescent device KONINKLIJKE PHILIPS ELECTRONICS N.V. 2006-03-09 US disclosed
EP-1594939-A2 CARBAZOLE COMPOUNDS AND USE OF SUCH COMPOUNDS IN ORGANIC ELECTROLUMINESCENT DEVICES Koninklijke Philips Electronics N.V. (NL) 2005-11-16 EP disclosed
EP-1572832-A1 ELECTROLUMINESCENT DEVICE Koninklijke Philips Electronics N.V. (NL) 2005-09-14 EP disclosed
WO-2004072205-A2 CARBAZOLE COMPOUNDS AND USE OF SUCH COMPOUNDS IN ORGANIC ELECTROLUMINESCENT DEVICES KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-08-26 WO disclosed
WO-2004055129-A1 ELECTROLUMINESCENT DEVICE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-07-01 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 (5 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-20230303601-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MGLL, SELENOI, APOL1 TSHR 749/4885NPC1 3111/4885MAPK1 1215/4885
US-20230403933-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT OR10J3, RPS19, ORC3 TSHR 1006/4885NPC1 1919/4885MAPK1 2757/4885
US-20130331611-A1 HYDROGENATION OF DIENALS WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE HRH4, TPD52L2, DIS3 TSHR 1726/4885NPC1 4472/4885MAPK1 2555/4885
US-20230227486-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT SOD1, LEF1, ORC3 TSHR 992/4885NPC1 3283/4885MAPK1 2263/4885
US-11760817-B2 Mass polymerizable polycycloolefin compositions containing soluble photoacid generators PPOX, VCL, PFN1 TSHR 4798/4885NPC1 3066/4885MAPK1 2293/4885

“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.