SCHEMBL417790

SCHEMBL417790

CCCCCCCCCCC=NCCCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.40
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
DNM1 Q05193 4/20 0.38
EP300 Q09472 1/20 0.35
NAAA Q02083 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL417789 1.00 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL13483931 0.97 TSHR (0.40) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL11760325 0.95 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL11763958 0.95 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL18489485 0.95 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL24183668 0.95 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL24864672 0.95 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL11760319 0.95 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL11760910 0.95 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL2887421 0.95 TSHR (0.44) TSHRTHRBFAAHTRPV1DNM1

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-8394996-B2 Method for producing aldehyde functional compounds EVONIK DEGUSSA GMBH (DE) 2013-03-12 US disclosed
US-20120022276-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2012-01-26 US disclosed
EP-2382178-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS Evonik Degussa GmbH (DE) 2011-11-02 EP disclosed
WO-2010084053-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2010-07-29 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-20120022276-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS FASN, ALDH2, ALOX12 TSHR 4779/4885THRB 4603/4885FAAH 55/4885

“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.