SCHEMBL18949697

SCHEMBL18949697

COC(=O)C/N=C/C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
THRB P10828 1/20 0.38
HSD17B10 Q99714 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
LMNA P02545 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TET2 Q6N021 1/20 0.30

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
SCHEMBL362129 0.75 TSHR (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL23387907 0.75 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL7763439 0.75
SCHEMBL13870409 0.71
SCHEMBL27522782 0.71
SCHEMBL29222989 0.70 TSHR (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL11451937 0.68 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL29599022 0.68 TSHR (0.61) TSHRHSD17B10MGAMGAASI
SCHEMBL5741106 0.68 TSHR (0.61) TSHRHSD17B10MGAMGAASI
SCHEMBL25978623 0.66

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-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 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-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 TSHR 3915/4885THRB 2756/4885HSD17B10 2887/4885

“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.