SCHEMBL20013680

SCHEMBL20013680

CCNC(=O)COCCOCCOC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
TSHR P16473 1/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AKT1 P31749 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 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
SCHEMBL24271760 1.00 NAMPT (0.38) NAMPTTSHRRAB9AHPGDNPC1
SCHEMBL20231659 0.89 TSHR (0.43) TSHRRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL12147609 0.86 FAAH (0.41) TSHRRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL30610964 0.86 ALDH1A1 (0.43) TSHRRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL22199469 0.85 TSHR (0.43) NAMPTTSHRHPGDMCL1L3MBTL1
SCHEMBL22841713 0.84 TSHR (0.46) TSHRHPGDSMN1; SMN2MCL1LMNA
SCHEMBL21119034 0.84 TSHR (0.46) TSHRHPGDSMN1; SMN2MCL1LMNA
SCHEMBL12081847 0.84 TSHR (0.46) TSHRHPGDSMN1; SMN2MCL1LMNA
SCHEMBL2626750 0.84 TSHR (0.46) TSHRHPGDSMN1; SMN2MCL1LMNA
SCHEMBL22199403 0.84 GLP1R (0.41) TSHRRAB9AHPGDNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 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-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 NAMPT 624/4885TSHR 1977/4885RAB9A 2571/4885

“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.