SCHEMBL19004751

SCHEMBL19004751

COc1ccc(C(=O)C(C)(Br)c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
MAPK1 P28482 3/20 0.56
LMNA P02545 2/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 1/20 0.56
APEX1 P27695 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
PLK1 P53350 1/20 0.52
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GSK3B P49841 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL18998443 0.93 NPC1 (0.54) MAPTMAPK1LMNAALOX15HSD17B10
SCHEMBL10458127 0.82 CES2 (0.59) MAPTMAPK1LMNAALOX15HSD17B10
SCHEMBL16147948 0.81 CES2 (0.53) MAPTMAPK1LMNAALOX15HSD17B10
SCHEMBL11293300 0.81 MAPT (0.57) MAPTMAPK1LMNAALOX15HSD17B10
SCHEMBL6288747 0.81 MAPT (0.51) MAPTMAPK1LMNAALOX15HSD17B10
SCHEMBL757101 0.80 CES2 (0.61) MAPTMAPK1LMNAALOX15HSD17B10
SCHEMBL2355696 0.80 MAPT (0.70) MAPTMAPK1LMNAALOX15HSD17B10
SCHEMBL21480073 0.79 MAPT (0.54) MAPTMAPK1LMNAALOX15HSD17B10
SCHEMBL7637140 0.79 CES2 (0.59) MAPTMAPK1LMNAALOX15HSD17B10
SCHEMBL10299600 0.78 CES1 (0.62) MAPTMAPK1LMNAALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184504-B1 METHODS OF PREPARING ALPHA,BETA-UNSATURATED OR ALPHA-HALO KETONES AND ALDEHYDES INT FLAVORS & FRAGRANCES INC (US) 2018-05-02 EP disclosed
US-9796653-B2 Methods of preparing α,β-unsaturated or α-halo ketones and aldehydes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-10-24 US disclosed
EP-3184504-A1 METHODS OF PREPARING ALPHA,BETA-UNSATURATED OR ALPHA-HALO KETONES AND ALDEHYDES International Flavors & Fragrances Inc. (US) 2017-06-28 EP disclosed
US-20170174607-A1 METHODS OF PREPARING a,ß-UNSATURATED OR a-HALO KETONES AND ALDEHYDES INT FLAVORS & FRAGRANCES INC (US) 2017-06-22 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-20170174607-A1 METHODS OF PREPARING a,ß-UNSATURATED OR a-HALO KETONES AND ALDEHYDES DBH, DOHH, DHCR7 MAPT 2780/4885MAPK1 3842/4885LMNA 858/4885

“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.