SCHEMBL8949330

SCHEMBL8949330

CCc1cc(C(N)=O)cc(CC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PARP10 Q53GL7 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PARP1 P09874 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
BPTF Q12830 1/20 0.38
DHFR P00374 1/20 0.38
PTPN11 Q06124 1/20 0.37
MAPK1 P28482 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
SCHEMBL28502987 0.85 TSHR (0.42) TSHRGABRA1GABRB2ALDH1A1LMNA
SCHEMBL8960347 0.83 LMNA (0.50) TSHRALDH1A1LMNACYP2C9HSP90AA1
SCHEMBL15922621 0.82 EGFR (0.52) TSHRGABRA1GABRB2ALDH1A1HTT
SCHEMBL8092896 0.81 GABRA1 (0.48) GABRA1GABRB2ALDH1A1LMNACYP3A4
SCHEMBL10082434 0.80 LMNA (0.37) TSHRGABRA1GABRB2ALDH1A1LMNA
SCHEMBL5907906 0.79 ALDH1A1 (0.64) GABRA1GABRB2ALDH1A1LMNACYP3A4
SCHEMBL10760941 0.77 ALDH1A1 (0.46) GABRA1GABRB2ALDH1A1HTTCYP3A4
SCHEMBL45875 0.77 HSP90AA1 (0.61) ALDH1A1HTTPARP10HSP90AA1HSP90AB1
SCHEMBL27732161 0.77 GABRA1 (0.40) GABRA1GABRB2ALDH1A1LMNACYP3A4
SCHEMBL14235937 0.76 PARP1 (0.50) TSHRALDH1A1PARP10HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188068-B2 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. (US) 2012-05-29 US disclosed
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 US disclosed
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 US 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 (2 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-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP TSHR 4744/4885GABRA1 4259/4885GABRB2 4325/4885
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION BMP2, BMP1, BMP6 TSHR 4153/4885GABRA1 2336/4885GABRB2 2906/4885

“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.