SCHEMBL17486533

SCHEMBL17486533

CC(C)CCCOCCOCCOCCCNC(=O)CCCC(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NAMPT P43490 1/20 0.35
EPOR P19235 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL23334540 0.90 TSHR (0.51) TSHRHPGDSMN1; SMN2LMNAPKM
SCHEMBL19155468 0.88 TSHR (0.50) TSHRHPGDSMN1; SMN2LMNAPKM
SCHEMBL19069040 0.87 TSHR (0.50) TSHRHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL24433548 0.86 TSHR (0.47) TSHRHPGDSMN1; SMN2LMNAPKM
SCHEMBL24253180 0.86 TSHR (0.43) TSHRHPGDLMNAPKMCNR1
SCHEMBL16134044 0.86 TSHR (0.49) TSHRHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL25028593 0.85 TSHR (0.51) TSHRHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL25649009 0.85 TSHR (0.50) TSHRHPGDSMN1; SMN2LMNAPKM
SCHEMBL26866027 0.85 GLP1R (0.41) TSHRHPGDLMNAPKMCNR1
SCHEMBL26700881 0.84 HPGD (0.45) TSHRHPGDSMN1; SMN2LMNAPKM

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-9714946-B2 Bromodomain binding reagents and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-25 US disclosed
US-20160033519-A1 BROMODOMAIN BINDING REAGENTS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-04 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-20160033519-A1 BROMODOMAIN BINDING REAGENTS AND USES THEREOF BRD4, BRD1, BRDT TSHR 1711/4885HPGD 3377/4885SMN1; SMN2 4682/4885

“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.