SCHEMBL5974474

SCHEMBL5974474

[Li]CCCCC.[Li]CCCCCC

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
SCHEMBL2178335 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
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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2933246-B1 VERSATILE AND FUNCTIONALISED INTERMEDIATES FOR THE SYNTHESIS OF VITAMIN D AND NOVEL VITAMIN D DERIVATIVES ENDOTHERM GMBH (DE) 2020-01-08 EP disclosed
US-9994508-B2 Versatile and functionalised intermediates for the synthesis of vitamin D and novel vitamin D derivatives ENDOTHERM GMBH (DE) 2018-06-12 US disclosed
US-20150344421-A1 Versatile and Functionalised Intermediates for the Synthesis of Vitamin D and Novel Vitamin D Derivatives ENDOTHERM GMBH (DE) 2015-12-03 US disclosed
EP-2933246-A1 VERSATILE AND FUNCTIONALISED INTERMEDIATES FOR THE SYNTHESIS OF VITAMIN D AND NOVEL VITAMIN D DERIVATIVES Endotherm GmbH (DE) 2015-10-21 EP disclosed
EP-1245591-B1 METHOD FOR HYDROGENATION OF DIENE POLYMERS AND COPOLYMERS ASAHI CHEMICAL IND (JP) 2006-11-22 EP 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-20150344421-A1 Versatile and Functionalised Intermediates for the Synthesis of Vitamin D and Novel Vitamin D Derivatives VDR, CYP24A1, CYP2R1 TSHR 1643/4885THRB 1238/4885DNM1 4352/4885

“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.