SCHEMBL4604605

SCHEMBL4604605

O=C(c1ccccc1)c1oc2ccccc2c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
NPC1 O15118 6/20 0.68
KMT2A Q03164 2/20 0.68
PTPN1 P18031 2/20 0.61
ALDH1A1 P00352 3/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 5/20 0.53
POLB P06746 1/20 0.53
AHR P35869 1/20 0.53
TP53 P04637 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ADORA2A P29274 1/20 0.50
CASP1 P29466 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRB P10828 1/20 0.48

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
SCHEMBL11492748 0.88 MAPT (0.62) MAPTNPC1KMT2APTPN1ALDH1A1
SCHEMBL29502948 0.83 KMT2A (0.51) MAPTNPC1KMT2APTPN1ALDH1A1
SCHEMBL647309 0.83 KMT2A (0.51) MAPTNPC1KMT2APTPN1ALDH1A1
SCHEMBL429754 0.81 MAPT (1.00) MAPTNPC1KMT2APTPN1ALDH1A1
SCHEMBL28428346 0.81 MAPT (0.66) MAPTNPC1KMT2APTPN1ALDH1A1
SCHEMBL30608270 0.81 NPC1 (0.66) MAPTNPC1KMT2APTPN1ALDH1A1
SCHEMBL10613511 0.79 CA12 (0.69) MAPTKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL650804 0.78 ALDH1A1 (0.54) MAPTNPC1KMT2APTPN1ALDH1A1
SCHEMBL1490754 0.78 KDM4E (0.49) MAPTNPC1KMT2APTPN1ALDH1A1
SCHEMBL11393520 0.78 CA12 (0.62) MAPTNPC1KMT2AALDH1A1TSHR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP claimed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US claimed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 US claimed
CN-1882562-A Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2006-12-20 CN claimed
US-20060228313-A1 Method of cosmetic depigmentation care by applying at least one aurone COLETICA (FR) 2006-10-12 US claimed
EP-1709964-A2 A method of cosmetic depigmentation care by applying at least one aurone ENGELHARD LYON (FR) 2006-10-11 EP claimed
EP-1685122-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GmbH (DE) 2006-08-02 EP claimed
WO-2005054226-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2005-06-16 WO claimed
WO-2000000194-A1 OPHTHALMIC USES OF PPARGAMMA AGONISTS AND PPARGAMMA ANTAGONISTS PHOTOGENESIS, INC. (US) 2000-01-06 WO claimed
CN-108440470-A A kind of synthetic method of 2- butyl -3- (4- hydroxy benzoyls) benzofuran 瑞孚信江苏药业股份有限公司 2018-08-24 CN disclosed
US-20140135359-A1 METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES MARTINEAU LOUIS C (CA) 2014-05-15 US disclosed
CN-101830872-A Synthetic method of 3-hydroxyl benzofuran derivatives UNIV SOUTHERN MEDICAL 2010-09-15 CN disclosed
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
EP-1685122-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005054226-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2005-06-16 WO disclosed
WO-2004037248-A2 MODULATION OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ACTIVITY CAREX SA (FR) 2004-05-06 WO disclosed
CN-1479736-A Benzofuran and benzothiophene derivatives - 2004-03-03 CN disclosed
EP-0448850-B1 2-Alkyl-3-benzoylbenzofurans useful for treating cardiac arrhythmia TARO PHARMA IND (IL) 1995-08-30 EP disclosed
US-3983245-A CORONARY VASODILATORS SMITHKLINE CORPORATION (US) 1976-09-28 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 (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-20060228313-A1 Method of cosmetic depigmentation care by applying at least one aurone TYR, MITF, MC1R MAPT 1368/4885NPC1 3885/4885KMT2A 1643/4885
US-20140135359-A1 METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES UQCRC2, UQCRC1, TIMM50 MAPT 4702/4885NPC1 2404/4885KMT2A 3551/4885
US-20070066680-A1 Benzofurans and benzothiophenes INSR, GPR119, IGF1R MAPT 1767/4885NPC1 2244/4885KMT2A 2846/4885

“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.