SCHEMBL19405877

SCHEMBL19405877

CCOC(=O)c1ccc(Oc2cccc(OCC3CC3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 12/20 0.57
ACACB O00763 5/20 0.57
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP10 Q53GL7 2/20 0.47
PARP15 Q460N3 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
FABP1 P07148 1/20 0.45
NR1H4 Q96RI1 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
SCHEMBL19834562 0.86 ACACA (0.56) ACACAACACBPARP10PARP15PARP2
SCHEMBL19405880 0.85 ACACA (0.65) ACACAACACBMAPTPARP10PARP15
SCHEMBL19834467 0.83 ACACA (0.60) ACACAACACBPARP10PARP15PARP2
SCHEMBL15613593 0.82 L3MBTL1 (0.67) ACACAACACBTDP1L3MBTL1MEN1
SCHEMBL19405726 0.82 PARP10 (0.71) ACACAACACBKMT2APARP10PARP15
SCHEMBL19405817 0.82 ACACA (0.65) ACACAACACBMEN1MAPTKMT2A
SCHEMBL931524 0.81 HPGD (0.52) TDP1L3MBTL1PARP10PARP15NR1H4
SCHEMBL19834496 0.80 ACACA (0.48) ACACAACACBMEN1MAPTKMT2A
SCHEMBL15474259 0.80 ACACA (0.58) ACACAACACBTDP1L3MBTL1
SCHEMBL931179 0.80 HPGD (0.54) TDP1L3MBTL1PARP10PARP15NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207444-B Bicyclic compounds 武田药品工业株式会社 2020-07-24 CN disclosed
EP-3225618-B1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-05-06 EP disclosed
US-10301292-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-28 US disclosed
US-10252997-B2 Monocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-09 US disclosed
US-20180079723-A1 MONOCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
EP-3279183-A1 MONOCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 EP disclosed
US-20180002322-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-04 US disclosed
EP-3225618-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-10-04 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 (4 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-20180002322-A1 BICYCLIC COMPOUND ACACA, ACACB, ACAT1 ACACA 1/4885ACACB 2/4885TDP1 4465/4885
US-10301292-B2 Bicyclic compound ACACA, ACACB, ACAT1 ACACA 1/4885ACACB 2/4885TDP1 4465/4885
US-10252997-B2 Monocyclic compound FABP1, CPT1A, GOT2 ACACA 58/4885ACACB 28/4885TDP1 4753/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 ACACA 58/4885ACACB 28/4885TDP1 4753/4885

“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.