SCHEMBL3698231

SCHEMBL3698231

CC(C)(C)OC(=O)CCCOc1ccccc1NCC(=O)c1ccc(Cl)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
THRA P10827 1/20 0.34
AGTR1 P30556 1/20 0.34
ACLY P53396 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
PTPRC P08575 2/20 0.33
EPHX2 P34913 1/20 0.33
PTPN1 P18031 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3337532 0.90 MAPT (0.46) THRBTDP1MAPTMEN1KMT2A
SCHEMBL3337584 0.86 MAPT (0.35) THRBTDP1MAPTMEN1KMT2A
SCHEMBL21803858 0.86 SLC16A3 (0.36) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3343103 0.81 LMNA (0.43) THRBTDP1MAPTMEN1KMT2A
SCHEMBL3340610 0.78 GPBAR1 (0.36) THRBTDP1MAPTMEN1KMT2A
SCHEMBL3336932 0.77 SMN1; SMN2 (0.43) THRBTDP1MAPTMEN1KMT2A
SCHEMBL3337372 0.76 MAPT (0.44) THRBTDP1MAPTMEN1KMT2A
SCHEMBL19548414 0.76 AAK1 (0.32) THRBTDP1
SCHEMBL3336381 0.76 MAPT (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3337589 0.74 MEN1 (0.35) THRBTDP1MAPTMEN1KMT2A

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-8481738-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
US-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2012-05-17 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-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR THRB 123/4885TDP1 2969/4885MAPT 4248/4885

“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.