SCHEMBL12666182

SCHEMBL12666182

COCCOCCOCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
ALDH1A1 P00352 1/20 0.53
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX2 P34913 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 1/20 0.48
ADRA1A P35348 1/20 0.46
PRMT1 Q99873 1/20 0.44
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL12666089 1.00 TSHR (0.62) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL12733522 0.94 TSHR (0.67) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL18923980 0.92 TSHR (0.56) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL18923938 0.92 TSHR (0.56) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL20151931 0.92 ALDH1A1 (0.55) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL12673953 0.92 ALDH1A1 (0.55) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL11921661 0.92 ALDH1A1 (0.55) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL26297954 0.91 ALDH1A1 (0.53) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL27131417 0.90 TSHR (0.61) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL12733524 0.90 TSHR (0.76) TSHRALDH1A1HPGDMEN1KMT2A

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-20110105720-A1 PROTEASE STABILIZED, ACYLATED INSULIN ANALOGUES NOVO NORDISK A/S (DK) 2011-05-05 US disclosed
US-20110105720-A1 PROTEASE STABILIZED, ACYLATED INSULIN ANALOGUES NOVO NORDISK A/S (DK) 2011-05-05 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-20110105720-A1 PROTEASE STABILIZED, ACYLATED INSULIN ANALOGUES IAPP, IDE, LIPE TSHR 819/4885ALDH1A1 4181/4885HPGD 3283/4885

“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.