SCHEMBL9110530

SCHEMBL9110530

Oc1ccc(-c2nc3ccc(OCC4CC4)cn3c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.39
EPHX2 P34913 2/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TNK2 Q07912 1/20 0.34
TSPO P30536 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL9112892 0.80 ACACB (0.46) ALOX5EPHX2
SCHEMBL9112791 0.75 NPC1 (0.49) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL1263048 0.70 PARP15 (0.59) PARP15PARP10PARP2
SCHEMBL16902834 0.70 PARP15 (0.59) PARP15PARP10PARP2
SCHEMBL14817251 0.65 PARP15 (0.53) PARP15PARP10PARP2
SCHEMBL19665796 0.64 PARP10 (0.62) PARP15PARP10PARP2
SCHEMBL21051418 0.64 PARP10 (0.62) PARP15PARP10PARP2
SCHEMBL9815729 0.64 PARP15 (0.49) PARP15PARP10PARP2
SCHEMBL8476825 0.63 SLC6A2 (0.55) MAPTMEN1KMT2APARP15PARP10
SCHEMBL8673552 0.63 PARP15 (0.51) PARP15PARP10PARP2

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
CN-115184513-A Method for detecting glucocorticoid in milk 南京市产品质量监督检验院(南京市质量发展与先进技术应用研究院) 2022-10-14 CN disclosed
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
EP-2649062-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Takeda Pharmaceutical Company Limited (JP) 2013-10-16 EP disclosed
WO-2012074126-A9 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-06 WO disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
WO-2012074126-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 WO disclosed
EP-0633934-A1 MODIFIED CELLS AND METHOD OF TREATMENT IMPERIAL CANCER RESEARCH TECHNOLOGY LIMITED (GB) 1995-01-18 EP disclosed
WO-1993020200-A1 MODIFIED CELLS AND METHOD OF TREATMENT IMPERIAL CANCER RESEARCH TECHNOLOGY LIMITED (GB) 1993-10-14 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 ALOX5 663/4885EPHX2 1205/4885AKT1 1962/4885

“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.