SCHEMBL5494784

SCHEMBL5494784

O=C(O)C(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NR4A2 P43354 1/20 0.59
MAOB P27338 5/20 0.56
ALOX5 P09917 1/20 0.55
SMPD1 P17405 1/20 0.54
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
SRD5A2 P31213 1/20 0.52
GPR132 Q9UNW8 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL10776066 0.88 KMT2A (0.61) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL10776069 0.88 KMT2A (0.61) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL5775340 0.86 NR4A2 (0.65) KMT2ASMN1; SMN2NR4A2MAOBSMPD1
SCHEMBL9019941 0.86 KMT2A (0.59) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL9432429 0.86 KMT2A (0.59) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL5911726 0.84 KMT2A (0.62) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL5772077 0.84 KMT2A (0.62) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL2986567 0.84 ALOX5 (0.67) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL2848849 0.83 NR4A1 (0.60) NR4A2MAOBALOX5SRD5A2LMNA
SCHEMBL11603161 0.83 KMT2A (0.63) KMT2ASMN1; SMN2NR4A2MAOBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
WO-2008073623-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-06-19 WO disclosed
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-20050182138-A1 Dipeptide inhibitors of beta-secretase ELAN PHARMACEUTICALS, INC. 2005-08-18 US disclosed
US-6864240-B1 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2005-03-08 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 (3 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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 KMT2A 4196/4885SMN1; SMN2 3045/4885NR4A2 280/4885
US-20050182138-A1 Dipeptide inhibitors of beta-secretase BACE1, APP, BACE2 KMT2A 3047/4885SMN1; SMN2 1843/4885NR4A2 2362/4885
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 KMT2A 2022/4885SMN1; SMN2 4561/4885NR4A2 1856/4885

“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.