SCHEMBL505361

SCHEMBL505361

O=C(O)c1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.69
HTT P42858 1/20 0.69
PARP15 Q460N3 1/20 0.55
PARP10 Q53GL7 1/20 0.55
HSD17B10 Q99714 1/20 0.54
SRD5A2 P31213 4/20 0.53
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
LPAR1 Q92633 1/20 0.48
LPAR5 Q9H1C0 1/20 0.48
NR4A2 P43354 1/20 0.46
KMT2A Q03164 1/20 0.46
BCL2L1 Q07817 1/20 0.45
BAD Q92934 1/20 0.45
PKM P14618 1/20 0.44
FAAH O00519 1/20 0.44
EPHX2 P34913 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL4621776 0.92 HPGD (0.65) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL24407671 0.91 HPGD (0.63) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL31124426 0.85 HPGD (0.61) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL7804231 0.84 HPGD (0.56) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL505520 0.81 LPAR1 (0.68) HPGDHTTPARP15PARP10SRD5A2
SCHEMBL5581520 0.80 PARP10 (0.78) HPGDPARP15PARP10SRD5A2CA1
Terephthalic Acid SCHEMBL9861713 0.80 PARP10 (0.78) HPGDPARP15PARP10SRD5A2CA1
SCHEMBL22281 0.80 PARP10 (0.78) HPGDPARP15PARP10SRD5A2CA1
SCHEMBL766069 0.80 PARP10 (0.78) HPGDPARP15PARP10SRD5A2CA1
SCHEMBL2997851 0.80 LMNA (0.50) HPGDHTTHSD17B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220146935-A1 CARBOXYLATE, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-05-12 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD HPGD 179/4885HTT 759/4885PARP15 1063/4885

“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.