SCHEMBL12960409

SCHEMBL12960409

CC(C)Cc1ccccc1OCCF

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.44
▸ MAPT P10636 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GABRA1 P14867 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL18893506 0.84 HTT (0.53) KCNH2MAPTL3MBTL1NPSR1GABRA1
SCHEMBL15118676 0.84 SLC6A2 (0.51) KCNH2MAPTL3MBTL1NPSR1GABRA1
SCHEMBL15118677 0.82 CYP1A2 (0.53) KCNH2MAPTL3MBTL1NPSR1HPGD
SCHEMBL29324810 0.81 L3MBTL1 (0.46) KCNH2MAPTL3MBTL1NPSR1GABRA1
SCHEMBL12394754 0.79 GABRA1 (0.45) KCNH2MAPTGABRA1GABRB2HTR1A
SCHEMBL12461613 0.79 L3MBTL1 (0.56) KCNH2MAPTL3MBTL1NPSR1GABRA1
SCHEMBL12969843 0.79 L3MBTL1 (0.67) KCNH2MAPTL3MBTL1NPSR1HPGD
SCHEMBL24180148 0.77 SLC6A2 (0.51) MAPTL3MBTL1GABRA1GABRB2CTSS
SCHEMBL12804950 0.77 KCNH2 (0.49) KCNH2MAPTL3MBTL1NPSR1HPGD
SCHEMBL4575612 0.77 GABRA1 (0.50) GABRA1GABRB2HPGDCTSSCTSK

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-9181253-B2 Adenosine receptor agonists, partial agonists, and antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-10 — — US disclosed
US-20120252823-A1 ADENOSINE RECEPTOR AGONISTS, PARTIAL AGONISTS, AND ANTAGONISTS SERVICES (US) 2012-10-04 — — 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-20120252823-A1 ADENOSINE RECEPTOR AGONISTS, PARTIAL AGONISTS, AND ANTAGONISTS ADORA1, ADORA3, ADORA2A KCNH2 195/4885MAPT 3076/4885L3MBTL1 2559/4885

“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.

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