SCHEMBL1390899

SCHEMBL1390899

COCOc1cc(CCc2ccc3c(c2)C(C)(C)CO3)ccc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BACE1 P56817 3/20 0.36
RARA P10276 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NOTUM Q6P988 2/20 0.33
RXRA P19793 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL1390524 0.81 BACE1 (0.37) RARBRARGTDP1KMT2ABACE1
SCHEMBL1391109 0.81 TDP1 (0.57) TDP1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL1390751 0.79 RARB (0.40) RARBRARGBACE1RARAPTGS1
SCHEMBL1390641 0.78 ERN1 (0.46) TDP1KMT2AL3MBTL1
SCHEMBL465064 0.74 ALDH1A1 (0.40) KMT2AL3MBTL1BACE1ALDH1A1MAPT
SCHEMBL5780245 0.73 RARB (0.42) RARBRARGBACE1RARAPTGS1
SCHEMBL1446176 0.72 PPARG (0.41) L3MBTL1BACE1ALDH1A1CYP3A4CYP2D6
SCHEMBL1391164 0.72 ERN1 (0.44) L3MBTL1ALDH1A1MAPTLMNAHPGD
SCHEMBL5782492 0.71 RARB (0.45) RARBRARGBACE1RARAPTGS1
SCHEMBL1390770 0.70 ERN1 (0.46) KMT2AL3MBTL1ALDH1A1CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US 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
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 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 (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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB RARB 3964/4885RARG 3567/4885TDP1 4400/4885

“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.