SCHEMBL15570321

SCHEMBL15570321

COc1cc(CC(C)C(=O)O)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46
NR3C1 P04150 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
STING1 Q86WV6 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
MMP1 P03956 2/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6938099 0.88 LDHA (0.60) LDHAPPARDPPARATUBB1
SCHEMBL15881633 0.87 LDHA (0.51) LDHAFOSTTRJUNNR3C1
SCHEMBL18082680 0.86 LDHA (0.76) LDHAPPARDPPARAFOSTTR
SCHEMBL9781691 0.86 LDHA (0.76) LDHAPPARDPPARAFOSTTR
SCHEMBL22108693 0.83 FOS (0.69) LDHAFOSTTRJUNNR3C1
Hydrazine SCHEMBL1648713 0.83 LDHA (0.71) LDHAPPARDPPARAFOSTTR
SCHEMBL3175155 0.83 FOS (0.69) LDHAFOSTTRJUNNR3C1
Hydrochloric Acid SCHEMBL5371736 0.82 LDHA (0.54) LDHA
SCHEMBL6003686 0.82 TBXAS1 (0.44) PPARDPPARA
SCHEMBL6005325 0.82 TBXAS1 (0.44) PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
CN-104755473-B 2,3 benzodiazepine * 拜耳医药股份有限公司 2017-03-08 CN disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
EP-2885286-A1 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-06-24 EP disclosed
WO-2014026997-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-20 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-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT LDHA 4213/4885PPARD 288/4885PPARA 201/4885

“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.