SCHEMBL2005564

SCHEMBL2005564

CCCCCCC=Cc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.54
CNR2 P34972 4/20 0.54
AHR P35869 1/20 0.51
TNNC1 P63316 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TRPA1 O75762 1/20 0.47
RELA Q04206 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL17682006 1.00 CNR1 (0.54) CNR1CNR2AHRTNNC1LMNA
SCHEMBL19667752 1.00 CNR1 (0.54) CNR1CNR2AHRTNNC1LMNA
SCHEMBL28162321 1.00 CNR1 (0.54) CNR1CNR2AHRTNNC1LMNA
SCHEMBL15688437 1.00 CNR1 (0.54) CNR1CNR2AHRTNNC1LMNA
SCHEMBL15688436 1.00 CNR1 (0.54) CNR1CNR2AHRTNNC1LMNA
SCHEMBL19452377 1.00 CNR1 (0.54) CNR1CNR2AHRTNNC1LMNA
SCHEMBL2005561 1.00 CNR1 (0.54) CNR1CNR2AHRTNNC1LMNA
SCHEMBL6434844 0.98 AHR (0.53) CNR1CNR2AHRLMNATP53
SCHEMBL6435102 0.98 AHR (0.53) CNR1CNR2AHRLMNATP53
SCHEMBL6434839 0.98 AHR (0.53) CNR1CNR2AHRLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168833-B2 Schwartz reagents: methods of in situ generation and use QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-05-01 US disclosed
US-7960571-B2 Silicon-based cross-coupling reagent and production method of organic compound using the same KYOTO UNIVERSITY (JP) 2011-06-14 US disclosed
US-20100145060-A1 Schwartz Reagents: Methods of In Situ Generation and Use QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same KYOTO UNIVERSITY (JP) 2009-03-12 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 (2 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-20100145060-A1 Schwartz Reagents: Methods of In Situ Generation and Use CBR3, CBR1, ZFR CNR1 643/4885CNR2 371/4885AHR 839/4885
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same DNMT1, TET3, CTCF CNR1 4854/4885CNR2 4762/4885AHR 3005/4885

“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.