SCHEMBL9152899

SCHEMBL9152899

CCCCOC[C@@H](C)[C@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SPHK1 Q9NYA1 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
LPAR5 Q9H1C0 4/20 0.41
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LPAR1 Q92633 6/20 0.37
LPAR3 Q9UBY5 6/20 0.37
LPAR2 Q9HBW0 4/20 0.37
LPAR6 P43657 3/20 0.37
LPAR4 Q99677 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL9153486 1.00 USP2 (0.48) USP2HSD17B10SPHK1HTTTSHR
SCHEMBL12587483 1.00 USP2 (0.48) USP2HSD17B10SPHK1HTTTSHR
SCHEMBL9152360 1.00 USP2 (0.48) USP2HSD17B10SPHK1HTTTSHR
SCHEMBL9153536 0.93 USP2 (0.57) USP2HSD17B10SPHK1HTTLPAR5
SCHEMBL9154073 0.91 USP2 (0.60) USP2HSD17B10SPHK1HTTLPAR5
SCHEMBL9154669 0.91 USP2 (0.60) USP2HSD17B10SPHK1HTTLPAR5
SCHEMBL9152943 0.91 USP2 (0.60) USP2HSD17B10SPHK1HTTLPAR5
SCHEMBL9149880 0.91 USP2 (0.60) USP2HSD17B10SPHK1HTTLPAR5
SCHEMBL9156384 0.91 USP2 (0.60) USP2HSD17B10SPHK1HTTLPAR5
SCHEMBL9152331 0.91 USP2 (0.60) USP2HSD17B10SPHK1HTTLPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 US disclosed
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 US disclosed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 US disclosed
EP-0351782-B1 Optically active compounds liquid crystal composition containing said compound, and liquid crystal optical modulator using said composition HITACHI LTD (JP) 1995-01-04 EP disclosed
US-5328643-A Electrooptic display, switches, modulators; physical and chemical stability and spontaneous polarization TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-12 US disclosed
EP-0351782-A2 Optically active compounds liquid crystal composition containing said compound, and liquid crystal optical modulator using said composition HITACHI, LTD. (JP) 1990-01-24 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 (2 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-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT1, TBXA2R, VEGFA USP2 4728/4885HSD17B10 2919/4885SPHK1 847/4885
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 USP2 4538/4885HSD17B10 2338/4885SPHK1 354/4885

“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.