SCHEMBL13640790

SCHEMBL13640790

COCCNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ GLP1R P43220 8/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CNR1 P21554 1/20 0.43
▸ EPHX2 P34913 3/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL13641016 1.00 TSHR (0.49) TSHRALDH1A1GLP1RHPGDHTT
SCHEMBL13165265 1.00 TSHR (0.49) TSHRALDH1A1GLP1RHPGDHTT
SCHEMBL15259316 0.97 TSHR (0.49) TSHRALDH1A1GLP1RHPGDHTT
SCHEMBL15871515 0.96 TSHR (0.54) TSHRALDH1A1GLP1RHPGDHTT
SCHEMBL20151931 0.91 ALDH1A1 (0.55) TSHRALDH1A1GLP1RHPGDHTT
SCHEMBL12673953 0.91 ALDH1A1 (0.55) TSHRALDH1A1GLP1RHPGDHTT
SCHEMBL11921661 0.91 ALDH1A1 (0.55) TSHRALDH1A1GLP1RHPGDHTT
SCHEMBL15257829 0.91 GLP1R (0.45) TSHRALDH1A1GLP1RHPGDHTT
SCHEMBL30410751 0.90 TSHR (0.51) TSHRALDH1A1GLP1RHPGDHTT
SCHEMBL12673887 0.89 GLP1R (0.48) TSHRALDH1A1GLP1RCNR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012398-B2 Acylated exendin-4 compounds NOVO NORDISK A/S (DK) 2015-04-21 — — US disclosed
US-20120283170-A1 Acylated Exendin-4 Compounds NOVO NORDISK A/S (DK) 2012-11-08 — — 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 (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-20120283170-A1 Acylated Exendin-4 Compounds GLP1R, VIP, IAPP TSHR 858/4885ALDH1A1 4133/4885GLP1R 1/4885

“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.

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