SCHEMBL12228656

SCHEMBL12228656

OC(CNCc1ccccc1)COCCCCOCC(O)CNCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.49
BCHE P06276 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ANPEP P15144 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL9165211 0.92 S1PR2 (0.51) DNM1ADRB2ADRB1ADRB3TSHR
SCHEMBL25761328 0.91 CASR (0.49) DNM1BCHEADRB2ADRB1ADRB3
SCHEMBL9165276 0.89 DNM1 (0.48) DNM1BCHEADRB2ADRB1ADRB3
SCHEMBL23964580 0.89 MAPT (0.50) DNM1BCHEADRB2ADRB1ADRB3
SCHEMBL2810250 0.85 CA1 (0.60) DNM1BCHEADRB2ADRB1ADRB3
SCHEMBL17005403 0.85 CA1 (0.60) DNM1BCHEADRB2ADRB1ADRB3
SCHEMBL24473808 0.85 CA1 (0.60) DNM1BCHEADRB2ADRB1ADRB3
SCHEMBL16728267 0.85 TSHR (0.46) DNM1BCHEADRB2ADRB1ADRB3
SCHEMBL16707869 0.84 TSHR (0.47) DNM1BCHEADRB2ADRB1ADRB3
SCHEMBL9168696 0.84 DNM1 (0.49) DNM1BCHEADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044113-B2 curable in the absence of a polymerisation initiator; low viscosity, low cytotoxicity, and low solubility while having excellent mechanical properties such as low shrinkage and flexibility and which do not give rise to handling problems during manufacture and application Dentsply International, Inc (US) 2011-10-25 US disclosed
US-20080234404-A1 curable in the absence of a polymerisation initiator; low viscosity, low cytotoxicity, and low solubility while having excellent mechanical properties such as low shrinkage and flexibility and which do not give rise to handling problems during manufacture and application DENTSPLY DETREY GMBH (DE) 2008-09-25 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 (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-20080234404-A1 curable in the absence of a polymerisation initiator; low viscosity, low cytotoxicity, and low solubility while having excellent mechanical properties such as low shrinkage and flexibility and which do not give rise to handling problems during manufacture and application AAAS, PARG, PCNA DNM1 2130/4885BCHE 2899/4885ADRB2 3441/4885

“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.