SCHEMBL19363752

SCHEMBL19363752

CCC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 2/20 0.36
CASP2 P42575 1/20 0.35
FAAH O00519 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL21664661 0.85 HRH3 (0.37) TSHRSMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL16134044 0.84 TSHR (0.49) TSHRSMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL25791934 0.84 MEN1 (0.38) TSHRSMN1; SMN2MEN1KMT2AFAAH
SCHEMBL17524776 0.84 TSHR (0.51) TSHRSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL23320108 0.83 TSHR (0.47) TSHRSMN1; SMN2HPGD
SCHEMBL24486573 0.82 TSHR (0.46) TSHRSMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL25835006 0.81 TSHR (0.47) TSHRSMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL21965675 0.81 MEN1 (0.44) TSHRMEN1KMT2AALDH1A1
SCHEMBL20325690 0.79 HRH3 (0.37) TSHRSMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL25851515 0.79 MEN1 (0.47) TSHRMAPTHSD17B10MEN1KMT2A

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-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 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-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC TSHR 4378/4885SMN1; SMN2 4743/4885MAPT 4190/4885

“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.