SCHEMBL3773997

SCHEMBL3773997

COc1ccc(C(C)(C)Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.56
LTA4H P09960 2/20 0.54
TRPA1 O75762 1/20 0.48
MAPK1 P28482 2/20 0.45
KIF11 P52732 2/20 0.45
KCNH2 Q12809 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 2/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 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
SCHEMBL19286607 0.90 MAPK1 (0.56) CA4LTA4HMAPK1KIF11KCNH2
SCHEMBL22951133 0.86 MAPK1 (0.46) CA4LTA4HMAPK1KIF11KCNH2
SCHEMBL9332606 0.85 MAPK1 (0.61) LTA4HTRPA1MAPK1KCNH2ALDH1A1
SCHEMBL9331411 0.85 MAPK1 (0.61) CA4LTA4HMAPK1ALDH1A1ALOX15
SCHEMBL20763441 0.82 ESR1 (0.53) LTA4HMAPK1ALDH1A1ALOX15LMNA
SCHEMBL2181406 0.82 MAPK1 (0.43) CA4LTA4HMAPK1KIF11KCNH2
SCHEMBL21823964 0.82 CA4 (0.58) CA4LTA4HTRPA1KIF11KCNH2
SCHEMBL21191327 0.80 ESR1 (0.55) CA4LTA4HMAPK1CA12CA1
SCHEMBL22399058 0.80 MAPK1 (0.45) CA4LTA4HMAPK1KIF11ALDH1A1
SCHEMBL21191439 0.80 MAPK1 (0.50) MAPK1KIF11ALDH1A1ALOX15LMNA

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
EP-2346910-B1 CARBAMATE-METHACRYLATE MONOMERS AND THEIR USE IN DENTAL APPLICATIONS SEPTODONT CONFI DENTAL DIVISION (US) 2016-07-13 EP disclosed
US-8513326-B2 Carbamate-methacrylate monomers and their use in dental applications SEPTODONT CONFI-DENTAL (US) 2013-08-20 US disclosed
US-20100307378-A1 CARBAMATE-METHACRYLATE MONOMERS AND THEIR USE IN DENTAL APPLICATIONS SEPTODONT CONFI-DENTAL DIVISION (US) 2010-12-09 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-20100307378-A1 CARBAMATE-METHACRYLATE MONOMERS AND THEIR USE IN DENTAL APPLICATIONS CAD, ACMSD, MMAB CA4 173/4885LTA4H 2674/4885TRPA1 1958/4885

“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.