SCHEMBL2011338

SCHEMBL2011338

CCCCCCC=Cc1ccc(C=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.51
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
KCNH2 Q12809 2/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.41
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MGLL Q99685 1/20 0.41
DUSP3 P51452 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
SCHEMBL2011336 1.00 TNNC1 (0.51) TNNC1FAAHTRPV1KCNH2TSHR
SCHEMBL711621 0.92 ALDH1A1 (0.44) TNNC1FAAHTRPV1KCNH2TSHR
SCHEMBL711622 0.92 ALDH1A1 (0.44) TNNC1FAAHTRPV1KCNH2TSHR
SCHEMBL6046924 0.88 TNNC1 (0.55) TNNC1FAAHTRPV1KCNH2TSHR
SCHEMBL8498180 0.83 FAAH (0.43) TNNC1FAAHTRPV1TSHR
SCHEMBL8498184 0.83 FAAH (0.43) TNNC1FAAHTRPV1TSHR
SCHEMBL10861866 0.82 HDAC1 (0.46) TNNC1FAAHTRPV1TSHRALDH1A1
SCHEMBL10861862 0.82 HDAC1 (0.46) TNNC1FAAHTRPV1TSHRALDH1A1
SCHEMBL1001650 0.81 TNNC1 (0.55) TNNC1TRPV1ALDH1A1
SCHEMBL1277033 0.81 TNNC1 (0.55) TNNC1TRPV1ALDH1A1

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-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-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same KYOTO UNIVERSITY (JP) 2009-03-12 US disclosed
EP-0412803-B1 Chalcone derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-03-23 EP disclosed
US-5089654-A Antiulcer agents TAISHO PHARMACEUTICAL CO., LTD. (JP) 1992-02-18 US disclosed
EP-0412803-A1 Chalcone derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1991-02-13 EP 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-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same DNMT1, TET3, CTCF TNNC1 3618/4885FAAH 3904/4885TRPV1 2417/4885

“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.