SCHEMBL2178335

SCHEMBL2178335

[Li]CCCCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.61
DNM1 Q05193 7/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A1 O15245 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL117309 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11695805 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL2341027 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL50789 1.00
SCHEMBL4195383 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
Hexane SCHEMBL25218797 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL2175777 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5974474 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL10320275 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL134259 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409843-B2 Method for producing 1,1,1,5,5,5-hexafluoroacetylacetone CENTRAL GLASS COMPANY, LIMITED (JP) 2016-08-09 US disclosed
US-20160075626-A1 Method for Producing 1,1,1,5,5,5-Hexafluoroacetylacetone CENTRAL GLASS COMPANY LIMITED (JP) 2016-03-17 US disclosed
EP-2512979-A2 HYDROGEN STORAGE AND/OR GENERATION California Institute of Technology (US) 2012-10-24 EP disclosed
US-20110171119-A1 HYDROGEN STORAGE AND/OR GENERATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-07-14 US disclosed
WO-2011081949-A2 HYDROGEN STORAGE AND/OR GENERATION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-07-07 WO disclosed
US-7034081-B2 Highly branched diene polymers BAYER AKTIENGESELLSCHAFT (DE) 2006-04-25 US disclosed
US-6841648-B2 Polymers modified by functional groups BAYER AKTIENGESELLSCHAFT (DE) 2005-01-11 US disclosed
US-20040054110-A1 Highly branched diene polymers LANXESS DEUTSCHLAND GMBH (DE) 2004-03-18 US disclosed
EP-1398329-A1 Highly branched diene polymers Bayer Aktiengesellschaft (DE) 2004-03-17 EP disclosed
US-20030125476-A1 Polymers modified by functional groups BAYER AKTIENGESELLSCHAFT (DE) 2003-07-03 US disclosed
US-20030114612-A1 Coupled diene polymers modified with electrophilic groups BAYER AKTIENGESELLSCHAFT (DE) 2003-06-19 US disclosed
EP-1319673-A1 Polymers, modified by functionalised groups BAYER AG (DE) 2003-06-18 EP disclosed
EP-1283220-A1 Coupled diene polymers modified with electrophilic groups Bayer Aktiengesellschaft (DE) 2003-02-12 EP disclosed
US-6136921-A ALKALI METAL-TERMINATED POLYMER REACTED WITH DIGLYCIDYL ETHER DERIVATIVE COUPLING AGENT; CORROSION AND WEAR RESISTANCE; RADIATION TRANSPARENT TAIWAN SYNTHETIC RUBBER CORPERATION (TW) 2000-10-24 US disclosed
US-4229367-A Preparation of trans-4-alkyl-cyanoarylcyclohexanes SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-10-21 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-20160075626-A1 Method for Producing 1,1,1,5,5,5-Hexafluoroacetylacetone TALDO1, HDHD5, AQP1 TSHR 2062/4885THRB 3283/4885DNM1 507/4885

“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.