SCHEMBL6439610

SCHEMBL6439610

CCCCC/C=C\c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.55
CNR1 P21554 2/20 0.48
SMPD2 O60906 2/20 0.46
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
RXRA P19793 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL1469797 1.00 CHAT (0.55) CHATCNR1SMPD2CYSLTR2CYSLTR1
SCHEMBL1469800 1.00 CHAT (0.55) CHATCNR1SMPD2CYSLTR2CYSLTR1
SCHEMBL1612562 0.98 CHAT (0.57) CHATCNR1SMPD2CYSLTR2CYSLTR1
SCHEMBL1468842 0.95 CHAT (0.52) CHATCNR1SMPD2MTNR1AMTNR1B
SCHEMBL1468841 0.95 CHAT (0.52) CHATCNR1SMPD2MTNR1AMTNR1B
SCHEMBL28599340 0.90 CHAT (0.49) CHATCNR1SMPD2CYSLTR2CYSLTR1
SCHEMBL1469842 0.88 TLR8 (0.50) CHATSMPD2MTNR1AMTNR1BRXRA
SCHEMBL1469843 0.88 TLR8 (0.50) CHATSMPD2MTNR1AMTNR1BRXRA
SCHEMBL234806 0.88 CHAT (0.48) CHATCNR1SMPD2CYSLTR2CYSLTR1
SCHEMBL1469095 0.86 CHAT (0.42) CHATCNR1SMPD2CYSLTR2CYSLTR1

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-6867323-B2 Cross-coupling reaction of organosilicon nucleophiles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-15 US disclosed
US-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN 2002-12-05 US disclosed
WO-2001094355-A1 CROSS-COUPLING REACTION OF ORGANOSILICON NUCLEOPHILES BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2001-12-13 WO 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-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles TST, HPD, PCNA CHAT 4205/4885CNR1 3286/4885SMPD2 3362/4885

“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.