SCHEMBL2845072

SCHEMBL2845072

C=CCC1COC(=O)C(CC=C)C1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.38
CTRC Q99895 2/20 0.38
F2 P00734 1/20 0.38
CYP19A1 P11511 2/20 0.36
SHBG P04278 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 5/20 0.32
CYP2C9 P11712 3/20 0.32
CYP1A2 P05177 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAP2K1 Q02750 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL14601491 0.81 PRSS1 (0.37) PRSS1CTRCF2ELANECTSG
SCHEMBL6427227 0.80 PRSS1 (0.41) PRSS1CTRCF2CYP19A1SHBG
SCHEMBL18239488 0.80 MEN1 (0.36) PRSS1CTRCF2CYP19A1MEN1
SCHEMBL7053913 0.80 PRSS1 (0.41) PRSS1CTRCF2CYP19A1SHBG
SCHEMBL6427222 0.80 PRSS1 (0.41) PRSS1CTRCF2CYP19A1SHBG
SCHEMBL6295869 0.80 PRSS1 (0.41) PRSS1CTRCF2CYP19A1SHBG
SCHEMBL2082259 0.73 PRSS1 (0.34) PRSS1CTRCF2
SCHEMBL9616924 0.70 F2 (0.42) PRSS1CTRCF2MEN1KMT2A
SCHEMBL5480226 0.69 F2 (0.36) PRSS1CTRCF2ELANECTSG
SCHEMBL16014107 0.68 PRSS1 (0.40) PRSS1CTRCF2ALDH1A1ELANE

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-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-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 PRSS1 3885/4885CTRC 1626/4885F2 2031/4885

“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.