SCHEMBL4198642

SCHEMBL4198642

CC1CC(C)C(C2CCC(C(=O)O)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
PMP22 Q01453 1/20 0.34
GABRA6 Q16445 1/20 0.34

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
SCHEMBL13100708 0.81 MEN1 (0.43) MEN1KMT2APLGPLATLMNA
SCHEMBL30514314 0.77 ACE (0.35) MEN1KMT2APLGPLATLMNA
SCHEMBL13185964 0.74 LMNA (0.43) MEN1KMT2APLGPLATLMNA
SCHEMBL31536511 0.74 LMNA (0.43) MEN1KMT2APLGPLATLMNA
SCHEMBL31536510 0.74 LMNA (0.43) MEN1KMT2APLGPLATLMNA
SCHEMBL20275152 0.73 MEN1 (0.35) MEN1KMT2APLGPLATLMNA
SCHEMBL135662 0.71 LMNA (0.48) PLGPLATLMNAGABRPGABRD
SCHEMBL135660 0.71 LMNA (0.48) PLGPLATLMNAGABRPGABRD
SCHEMBL265529 0.71 LMNA (0.48) PLGPLATLMNAGABRPGABRD
SCHEMBL6704472 0.71 TSHR (0.52) MEN1KMT2APLGPLATLMNA

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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US claimed
EP-1496911-B1 USE OF A COMBINATION COMPRISING A2A ADENOSINE RECEPTOR AGONISTS AND ANTI-PATHOGENIC AGENTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV VIRGINIA (US) 2007-12-19 EP claimed
CN-101068825-B Having a2A2-propynyl adenosine analogs with modified 5' -ribose groups for agonist activity Univ Virginia Patent Found 2013-05-08 CN 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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B MEN1 2797/4885KMT2A 4262/4885PLG 480/4885

“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.