SCHEMBL2040736

SCHEMBL2040736

COc1cc(Br)cc(NCc2ccc(F)cc2O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MAP2K4 P45985 1/20 0.41
CASP6 P55212 12/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2044884 0.91 GAA (0.40) L3MBTL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2040207 0.85 SMN1; SMN2 (0.52) L3MBTL1NPC1RAB9AGAAPKM
SCHEMBL2038649 0.81 MAP2K4 (0.41) L3MBTL1MAP2K4CASP6HDAC3HDAC1
SCHEMBL2041372 0.81 GAA (0.47) L3MBTL1NPC1RAB9AGAAPKM
SCHEMBL2044747 0.78 NPC1 (0.38) L3MBTL1NPC1RAB9AGAAPKM
SCHEMBL2043902 0.77 NPSR1 (0.45) L3MBTL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2042920 0.74 GAA (0.40) L3MBTL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2046992 0.73 NPSR1 (0.50) L3MBTL1HDAC1NPC1RAB9AGAA
SCHEMBL2042919 0.72 MEN1 (0.41) L3MBTL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2038643 0.70 MAP2K4 (0.43) MAP2K4CASP6MEN1ALDH1A1POLB

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 L3MBTL1 4857/4885MAP2K4 4164/4885CASP6 1948/4885
US-20140275536-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF TYR, MITF, CUTA L3MBTL1 4546/4885MAP2K4 3068/4885CASP6 2096/4885
US-20160115132-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF TYR, MITF, TEAD3 L3MBTL1 4857/4885MAP2K4 4164/4885CASP6 1948/4885

“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.