SCHEMBL12012111

SCHEMBL12012111

CC1(C)OCC(CCOc2ccc(N)cc2)O1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.47
MAPK14 Q16539 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
CA2 P00918 2/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5766219 0.87 MAPK14 (0.43) MAPK14CA2HTR1AADRA1DADRA1B
SCHEMBL2215555 0.87 MAPK14 (0.43) MAPK14CA2HTR1AADRA1DADRA1B
SCHEMBL7964858 0.85 ADRA1B (0.49) MAPK14TDP1TAAR1HTR1AADRA1D
SCHEMBL465772 0.85 CA2 (0.48) MAPK14TDP1CA2TSHR
SCHEMBL1076666 0.85 CA2 (0.48) MAPK14TDP1CA2TSHR
SCHEMBL1074704 0.85 CA2 (0.48) MAPK14TDP1CA2TSHR
SCHEMBL1133834 0.82 ALDH1A1 (0.43) MAPK14CA2HTR1AADRA1DADRA1B
SCHEMBL1133835 0.82 ALDH1A1 (0.43) MAPK14CA2HTR1AADRA1DADRA1B
SCHEMBL10760508 0.81 HRH3 (0.41) MAPK14HTR1AADRA1DADRA1B
SCHEMBL10760342 0.81 MAPK14 (0.40) MAPK14CA2HTR1AADRA1DADRA1B

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
EP-3173414-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Biosciences Inc. (US) 2017-05-31 EP disclosed
EP-2188271-B1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES INC (US) 2017-01-11 EP disclosed
US-8252822-B2 Heterocyclic compounds and uses as anticancer agents ACEA BIOSCIENCES, INC. (US) 2012-08-28 US disclosed
US-8252822-B2 Heterocyclic compounds and uses as anticancer agents ACEA BIOSCIENCES, INC. (US) 2012-08-28 US disclosed
WO-2009023402-A2 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES INC. (US) 2009-02-19 WO disclosed
US-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2009-02-19 US disclosed
US-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2009-02-19 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 (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-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS MKI67, CCNC, HCCS NFE2L2 1114/4885MAPK14 2242/4885TDP1 2861/4885

“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.