SCHEMBL10239305

SCHEMBL10239305

CCCCC(CC)COC(=O)CCSc1ccc(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MAPT P10636 4/20 0.42
▸ APEX1 P27695 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ PDE7A Q13946 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ GSTP1 P09211 1/20 0.38
▸ GSTM2 P28161 1/20 0.38
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL10239258 0.93 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1390827 0.91 ALDH1A1 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31260368 0.86 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31260302 0.86 TSHR (0.45) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31260295 0.84 CYP3A4 (0.43) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL10239314 0.84 TSHR (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1391125 0.84 ALDH1A1 (0.47) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL10239252 0.83 TSHR (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19259864 0.83 TDP1 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1390971 0.82 CYP3A4 (0.40) CYP3A4TSHRTDP1ATMALDH1A1

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-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
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 — — US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 — — US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 — — 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 (3 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CYP3A4 3464/4885TSHR 3927/4885TDP1 4400/4885
US-20180002322-A1 BICYCLIC COMPOUND ACACA, ACACB, ACAT1 CYP3A4 1320/4885TSHR 4716/4885TDP1 4465/4885
US-10301292-B2 Bicyclic compound ACACA, ACACB, ACAT1 CYP3A4 1320/4885TSHR 4716/4885TDP1 4465/4885

“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.

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