SCHEMBL172770

SCHEMBL172770

CCCC(C)COCC(O)CO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.37
DUSP3 P51452 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
HTT P42858 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DGKA P23743 1/20 0.32
AGTR1 P30556 1/20 0.31

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
Propylene Glycol SCHEMBL28592512 0.87 TSHR (0.54) USP2TSHRHSD17B10KDM4ELMNA
SCHEMBL24053181 0.86 USP2 (0.59) USP2HSD17B10KDM4ELMNADUSP3
SCHEMBL5344357 0.85 USP2 (0.52) USP2TSHRHSD17B10KDM4ELMNA
SCHEMBL3252403 0.85 USP2 (0.55) USP2TSHRHSD17B10KDM4ELMNA
SCHEMBL13135366 0.84 USP2 (0.48) USP2TSHRHSD17B10KDM4ELMNA
SCHEMBL5198804 0.83 USP2 (0.48) USP2TSHRHSD17B10KDM4ELMNA
SCHEMBL17780022 0.83 USP2 (0.53) USP2TSHRHSD17B10KDM4ELMNA
SCHEMBL9354591 0.82 USP2 (0.47) USP2TSHRHSD17B10KDM4ELMNA
SCHEMBL19643118 0.82 TSHR (0.48) TSHRHSD17B10TDP1
SCHEMBL9679319 0.82 TSHR (0.48) TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599435-B1 REACTION PRODUCTS OF 2-PROPYLHEPTANOL WITH 1-HALOGEN-2,3-EPOXYPROPANES AND 1-HYDROXY-2,3-EPOXYPROPANE BASF SE (DE) 2012-03-07 EP disclosed
EP-1816115-A2 Method for producing glycidiyl ether Kao Corporation (JP) 2007-08-08 EP disclosed
US-20070149826-A1 METHOD FOR PRODUCING A REACTION PRODUCT KAO CORPORATION (JP) 2007-06-28 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-20070149826-A1 METHOD FOR PRODUCING A REACTION PRODUCT SQLE, HAO2, POLR1C USP2 2880/4885TSHR 3244/4885HSD17B10 333/4885

“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.