SCHEMBL23440887

SCHEMBL23440887

O=C(O)/C=C/c1cc(F)ccc1OC(=O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
TDO2 P48775 1/20 0.42
PLA2G1B P04054 1/20 0.41
MAPT P10636 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NFKB1 P19838 1/20 0.38
CA4 P22748 1/20 0.38
AKR1C3 P42330 3/20 0.38
AR P10275 2/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL23440876 0.85 PTGDR2 (0.40) HTTMAPTSMN1; SMN2LMNAGAA
SCHEMBL31548979 0.85 FBP1 (0.43) TDO2MAPTSMN1; SMN2KDM4EGAA
SCHEMBL10878231 0.76 AKR1C3 (0.49) HTTTDO2PLA2G1BMAPTATG4B
SCHEMBL23856076 0.76 PTGDR2 (0.50) HTTSMN1; SMN2LMNAGAA
SCHEMBL16815421 0.73 KDM4E (0.57) TDO2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL16815420 0.73 KDM4E (0.57) TDO2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL28606592 0.72 PTGER4 (0.72) KDM4ELMNAPTGER1PTGER4PTGER3
SCHEMBL1944113 0.71 CHRM3 (0.43) MAPTSMN1; SMN2LMNAGAA
SCHEMBL7916162 0.69 HTT (0.55) HTTPLA2G1BMAPTATG4BSMN1; SMN2
SCHEMBL22032605 0.68 KDM4E (0.46) HTTTDO2PLA2G1BMAPTATG4B

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
US-11261154-B2 Benzene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2022-03-01 US disclosed
US-20210332009-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 US disclosed
EP-3831810-A1 BENZENE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2021-06-09 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-11261154-B2 Benzene derivative PMP22, TMBIM6, MYT1 HTT 1552/4885TDO2 3399/4885PLA2G1B 2941/4885
US-20210332009-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 HTT 1552/4885TDO2 3399/4885PLA2G1B 2941/4885

“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.