SCHEMBL229340

SCHEMBL229340

Oc1cc(O)nc(Cc2ccccc2)n1.[Na]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
CALM1 P0DP23 1/20 0.44
IDH1 O75874 1/20 0.44
CHUK O15111 1/20 0.44
TXNRD1 Q16881 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE2A O00408 1/20 0.41
ALOX5 P09917 1/20 0.41
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL229621 0.98 BCL2 (0.48) BCL2BCL2L1CALM1IDH1CHUK
SCHEMBL9321232 0.86 BCL2 (0.42) BCL2BCL2L1CALM1IDH1CHUK
SCHEMBL2614741 0.79 CALM1 (0.61) CALM1CHUKTXNRD1NOX4ALDH1A1
SCHEMBL2118698 0.79 CYP17A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2117868 0.77 ALOX5 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL13729492 0.77 CALM1 (0.46) BCL2BCL2L1CALM1IDH1CHUK
SCHEMBL2116081 0.76 MMP1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL8443402 0.76 CHUK (0.41) BCL2BCL2L1CALM1IDH1CHUK
SCHEMBL27936593 0.74 CALM1 (0.48) CALM1CHUKTXNRD1NOX4ALDH1A1
SCHEMBL631807 0.72 ALDH1A1 (0.47) CALM1ALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324228-B2 Pyrimidine classical cannabinoid compounds and related methods of use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-12-04 US disclosed
US-20120004250-A1 PYRIMIDINE CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE MOORE II BOB M (US) 2012-01-05 US disclosed
US-8022078-B2 Pyrimidine classical cannabinoid compounds and related methods of use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-09-20 US disclosed
US-20110046163-A1 FURANOPYRIMIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-02-24 US disclosed
US-20090286815-A1 Pyrimidine Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 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 (3 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-20090286815-A1 Pyrimidine Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, GPR18 BCL2 2803/4885BCL2L1 3225/4885CALM1 865/4885
US-20110046163-A1 FURANOPYRIMIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE CNR1, CNR2, GPR17 BCL2 1211/4885BCL2L1 1469/4885CALM1 534/4885
US-20120004250-A1 PYRIMIDINE CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE CNR1, CNR2, P2RX2 BCL2 2115/4885BCL2L1 2670/4885CALM1 903/4885

“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.