SCHEMBL17898545

SCHEMBL17898545

O=P(O)(O)OCCOCC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
SRC P12931 1/20 0.35
SPHK1 Q9NYA1 10/20 0.35
LPAR3 Q9UBY5 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
SPHK2 Q9NRA0 4/20 0.34
GBA1 P04062 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3429348 0.81 FBP1 (0.43) SRCCA12CA1CA2MMP1
SCHEMBL6026930 0.79 SRC (0.45) SRCCA12CA1CA2MMP1
SCHEMBL27276638 0.78 SRC (0.44) SRCCA12CA1CA2MMP1
SCHEMBL8904061 0.73 LPAR3 (0.48) LPAR3LPAR1LPAR2
SCHEMBL20580710 0.73 LPAR3 (0.48) LPAR3LPAR1LPAR2
SCHEMBL20193278 0.73 LPAR3 (0.48) LPAR3LPAR1LPAR2
SCHEMBL17898555 0.73 LPAR3 (0.47) NAAALPAR3LPAR1LPAR2
SCHEMBL7741596 0.73 GBA1 (0.37) NAAASPHK1SPHK2GBA1UGCG
SCHEMBL11520489 0.72
SCHEMBL8657282 0.72 LPAR3 (0.50) NAAALPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 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 (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-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A NAAA 4090/4885SRC 974/4885SPHK1 4596/4885
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A NAAA 4090/4885SRC 974/4885SPHK1 4596/4885

“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.