SCHEMBL2819835

SCHEMBL2819835

CCCCCCCCCCC[C@H](CC#N)O[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.31
DNM1 Q05193 1/20 0.30
SMPD1 P17405 3/20 0.30

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
SCHEMBL2819836 1.00 TSHR (0.35) TSHRLMNADNM1SMPD1
SCHEMBL7155573 0.82 SMPD1 (0.37) SMPD1
SCHEMBL17442138 0.77 OPRM1 (0.36) TSHRLMNADNM1SMPD1
SCHEMBL8102996 0.74
SCHEMBL3897652 0.74 FFAR1 (0.34) TSHRLMNADNM1SMPD1
SCHEMBL27491046 0.74 TSHR (0.39) TSHRLMNADNM1SMPD1
SCHEMBL27491727 0.74 TSHR (0.39) TSHRLMNADNM1SMPD1
SCHEMBL3897647 0.74 FFAR1 (0.34) TSHRLMNADNM1SMPD1
SCHEMBL20477537 0.74 LMNA (0.33) TSHRLMNADNM1SMPD1
SCHEMBL9465685 0.74 LMNA (0.33) TSHRLMNADNM1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203434-B1 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5,6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD HANMI HOLDINGS CO LTD (KR) 2012-08-29 EP disclosed
US-8242288-B2 Method of preparing (6R)-3-hexyl-4-hydroxy-6-undecyl-5, 6-dihydropyran-2-one, and intermediate used in the method HANMI HOLDINGS CO., LTD. (KR) 2012-08-14 US disclosed
US-8242288-B2 Method of preparing (6R)-3-hexyl-4-hydroxy-6-undecyl-5, 6-dihydropyran-2-one, and intermediate used in the method HANMI HOLDINGS CO., LTD. (KR) 2012-08-14 US disclosed
US-20100274029-A1 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5, 6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD HANMI PHARM. CO., LTD. (KR) 2010-10-28 US disclosed
US-20100274029-A1 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5, 6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD HANMI PHARM. CO., LTD. (KR) 2010-10-28 US disclosed
EP-2203434-A2 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5,6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD Hanmi Pharm. Co., Ltd. (KR) 2010-07-07 EP disclosed
WO-2009057938-A2 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5,6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD HANMI PHARM. CO., LTD. (KR) 2009-05-07 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 (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-20100274029-A1 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5, 6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD DHCR7, DHPS, CYP8B1 TSHR 2166/4885LMNA 619/4885DNM1 3682/4885

“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.