SCHEMBL6705940

SCHEMBL6705940

CC(C)COc1ccc(C(=O)CBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.61
MAPT P10636 5/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
THRB P10828 1/20 0.55
NR1H4 Q96RI1 3/20 0.50
POLB P06746 3/20 0.50
HPGD P15428 2/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
PTPN1 P18031 2/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ABCB1 P08183 1/20 0.48
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.46
FOS P01100 1/20 0.46
JUN P05412 1/20 0.46

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
SCHEMBL16109076 0.82 MAPT (0.56) MAPTLMNAALDH1A1TSHRTHRB
SCHEMBL27911613 0.82 FOS (0.61) MAPTLMNAALDH1A1TSHRTHRB
SCHEMBL10640302 0.81 MAPT (0.53) MAPTLMNAALDH1A1TSHRTHRB
SCHEMBL13762874 0.81 MAPT (0.53) MAPTLMNAALDH1A1TSHRTHRB
SCHEMBL11739719 0.81 NR1H4 (0.55) GSK3BMAPTALDH1A1TSHRNR1H4
SCHEMBL3010302 0.80 MAPT (0.73) MAPTLMNAALDH1A1NR1H4POLB
SCHEMBL1461812 0.80 NPC1 (0.68) GSK3BMAPTLMNAALDH1A1TSHR
SCHEMBL834902 0.80 NR1H4 (0.70) MAPTLMNATSHRNR1H4POLB
SCHEMBL25139483 0.79 MAPT (0.53) MAPTLMNAALDH1A1TSHRTHRB
SCHEMBL17341985 0.79 PARP10 (0.65) MAPTLMNAALDH1A1NR1H4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142942-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto ZHU YUN-FEI (US) 2004-07-22 US disclosed
US-20020077327-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2002-06-20 US disclosed
EP-1185530-A1 IMIDAZO- AND PYRROLO[1,2-A]PYRIMID-4-ONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2002-03-13 EP disclosed
WO-2000069859-A1 IMIDAZO- AND PYRROLO[1,2-A]PYRIMID-4-ONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2000-11-23 WO disclosed
US-4033978-A Thiacycl[2.2.2]azine carboxylic acids SYNTEX (U.S.A.) INC. (US) 1977-07-05 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 (2 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-20040142942-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GSK3B 2672/4885MAPT 4654/4885LMNA 4003/4885
US-20020077327-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GSK3B 2672/4885MAPT 4654/4885LMNA 4003/4885

“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.