SCHEMBL823093

SCHEMBL823093

CCCCC(=O)C(O)C1=CCC2CC1C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 0.43
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CXCR3 P49682 1/20 0.34
HPGD P15428 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 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
SCHEMBL23294884 0.67 MAPK1 (0.44) ALOX12LMNAMAPK1TSHRKDM4E
SCHEMBL30832576 0.65 MAPK1 (0.41) ALOX12LMNARECQLMAPK1TSHR
SCHEMBL30832579 0.65 MAPK1 (0.41) ALOX12LMNARECQLMAPK1TSHR
SCHEMBL30832575 0.65 MAPK1 (0.41) ALOX12LMNARECQLMAPK1TSHR
Alpha-Pinene SCHEMBL6662443 0.62 TSHR (0.81) ALOX12LMNARECQLMAPK1TSHR
SCHEMBL716586 0.62 KCNH2 (0.58) MAPK1TSHRKDM4EHTTTDP1
SCHEMBL30832580 0.62 MAPK1 (0.53) ALOX12LMNAMAPK1TSHRKDM4E
SCHEMBL30832585 0.62 MAPK1 (0.53) ALOX12LMNAMAPK1TSHRKDM4E
Acetic Acid SCHEMBL30496778 0.62 TSHR (0.46) MAPK1TSHRKDM4EHTTTDP1
Myrtenol SCHEMBL15536292 0.60 TSHR (0.58) MAPK1TSHRKDM4EHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269842-A1 COMPOSITIONS COMPRISING CB RECEPTOR AGONISTS, USES THEREOF AND METHODS FOR THEIR PREPARATION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2011-11-03 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-20110269842-A1 COMPOSITIONS COMPRISING CB RECEPTOR AGONISTS, USES THEREOF AND METHODS FOR THEIR PREPARATION CNR1, CNR2, ADRA2C ALOX12 1310/4885LMNA 1454/4885RECQL 3052/4885

“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.