SCHEMBL2040233

SCHEMBL2040233

COc1cccc(NCc2cccc(C)c2O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 4/20 0.48
GAA P10253 4/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL2040677 0.84 NPSR1 (0.67) NPSR1HSD17B10NPC1GAARAB9A
SCHEMBL2041882 0.78 CA12 (0.46) NPSR1HSD17B10NPC1GAARAB9A
SCHEMBL2047920 0.76 NPSR1 (0.56) NPSR1HSD17B10NPC1RAB9APKM
SCHEMBL2046992 0.76 NPSR1 (0.50) NPSR1HSD17B10NPC1GAARAB9A
SCHEMBL2045215 0.75 RXFP1 (0.55) HSD17B10NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL18809821 0.74 HDAC1 (0.57) HSD17B10SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL17699260 0.73 NPSR1 (0.49) NPSR1HSD17B10MEN1HPGDKMT2A
SCHEMBL8348068 0.73 GRM5 (0.50) HDAC1CYP1A2CYP2C19GRM5
SCHEMBL22792724 0.71 MAP4K4 (0.43) NPSR1HSD17B10GAAMEN1HPGD
SCHEMBL2042859 0.70 NPSR1 (0.63) NPSR1HSD17B10NPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516398-B1 PHENOLIC DERIVATIVES, AND THEIR PHARMACEUTICAL OR COSMETIC USE GALDERMA RES & DEV (FR) 2018-03-21 EP claimed
US-9505720-B2 Phenol derivatives and pharmaceutical or cosmetic use thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-11-29 US claimed
US-20160115132-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-04-28 US claimed
US-9050266-B2 Phenol derivatives and pharmaceutical or cosmetic use thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-06-09 US claimed
US-20140275536-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-09-18 US claimed
EP-2516398-A2 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF Galderma Research & Development (FR) 2012-10-31 EP claimed
WO-2011077043-A2 PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-30 WO claimed
EP-2516398-B1 PHENOLIC DERIVATIVES, AND THEIR PHARMACEUTICAL OR COSMETIC USE GALDERMA RES & DEV (FR) 2018-03-21 EP disclosed
US-20170037015-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-02-09 US disclosed
US-9505720-B2 Phenol derivatives and pharmaceutical or cosmetic use thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-11-29 US disclosed
US-20160115132-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-04-28 US disclosed
US-9050266-B2 Phenol derivatives and pharmaceutical or cosmetic use thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-06-09 US disclosed
US-20140275536-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-09-18 US disclosed
EP-2516398-A2 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF Galderma Research & Development (FR) 2012-10-31 EP disclosed
WO-2011077043-A2 PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-30 WO 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 (3 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-20170037015-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF TYR, MITF, TEAD3 NPSR1 1708/4885HSD17B10 145/4885NPC1 799/4885
US-20140275536-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF TYR, MITF, CUTA NPSR1 2580/4885HSD17B10 204/4885NPC1 1091/4885
US-20160115132-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF TYR, MITF, TEAD3 NPSR1 1708/4885HSD17B10 145/4885NPC1 799/4885

“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.