SCHEMBL4455855

SCHEMBL4455855

COc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2O)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
ALOX15 P16050 3/20 0.62
ADORA2A P29274 2/20 0.62
ADORA3 P0DMS8 1/20 0.62
ADORA2B P29275 1/20 0.62
ADORA1 P30542 1/20 0.62
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 7/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 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
SCHEMBL4021180 0.97 TSHR (0.59) TSHRALOX15ADORA2AADORA3ADORA2B
SCHEMBL4467732 0.92 MAPK1 (0.56) TSHRALOX15ADORA2AADORA3ADORA2B
SCHEMBL12216379 0.90 NPC1 (0.51) TSHRALOX15ADORA2AADORA3ADORA2B
SCHEMBL12228156 0.85 ADORA3 (0.56) TSHRALOX15ADORA2AADORA3ADORA2B
SCHEMBL16790688 0.85 ADORA3 (0.46) TSHRALOX15ADORA2AADORA3ADORA2B
SCHEMBL7577322 0.85 TSHR (0.82) TSHRALOX15ADORA2AADORA3ADORA2B
SCHEMBL296255 0.85 TSHR (0.82) TSHRALOX15ADORA2AADORA3ADORA2B
SCHEMBL29481861 0.85 TSHR (0.82) TSHRALOX15ADORA2AADORA3ADORA2B
SCHEMBL13299337 0.84 KMT2A (0.49) TSHRALOX15ADORA3ALDH1A1SMN1; SMN2
SCHEMBL29364346 0.84 ALOX15 (0.62) TSHRALOX15ADORA2AADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189277-A1 COMPOSITE PIGMENT AND METHOD FOR PREPARATION THEREOF L'OREAL (FR) 2017-07-06 US disclosed
US-20170189277-A1 COMPOSITE PIGMENT AND METHOD FOR PREPARATION THEREOF L'OREAL (FR) 2017-07-06 US disclosed
US-9669243-B2 Delivery of hydrophobic benefit agents from bodywashes and the like onto a keratinous substrate BASF SE (DE) 2017-06-06 US disclosed
US-20150190320-A1 COSMETIC COMPOSITION COMPRISING COMPOSITE SUNSCREEN PARTICLES L'OREAL (FR) 2015-07-09 US disclosed
US-20150190320-A1 COSMETIC COMPOSITION COMPRISING COMPOSITE SUNSCREEN PARTICLES L'OREAL (FR) 2015-07-09 US disclosed
US-20150157539-A1 COSMETIC COMPOSITION COMPRISING COMPOSITE PARTICLES L'OREAL (FR) 2015-06-11 US disclosed
US-20150157539-A1 COSMETIC COMPOSITION COMPRISING COMPOSITE PARTICLES L'OREAL (FR) 2015-06-11 US disclosed
US-8882902-B2 Composite pigment and method for preparation thereof L'OREAL (FR) 2014-11-11 US disclosed
US-8882902-B2 Composite pigment and method for preparation thereof L'OREAL (FR) 2014-11-11 US disclosed
US-20130309285-A1 COMPOSITE PIGMENT AND METHOD FOR PREPARATION THEREOF L'OREAL (FR) 2013-11-21 US disclosed
US-20080286221-A1 Anionic Ethyl Methacrylate Copolymers and Use Thereof BASF AKTIENGESELLSCHAFT (DE) 2008-11-20 US disclosed
US-20080274069-A1 Cosmetic Preparations Containing Copolymers of Ethyl Methacrylate and at Least One Monoethylenically Unsaturated Carboxylic Acid BASF AKTIENGESELLSCHAFT (DE) 2008-11-06 US disclosed
US-20080247976-A1 water-resistant cosmetic or dermatological compositions for the UV-photoprotection of human skin and/or hair with enhanced stability to water DUEVA-KOGANOV OLGA V 2008-10-09 US disclosed
US-20080247975-A1 Sunscreen and personal care compositions comprising a select copolymer CIBA CORP. 2008-10-09 US disclosed
US-20080089853-A1 Amphoteric Ethyl Methacrylate Copolymers and Use Thereof BASF AKTIENGESELLSCHAFT (DE) 2008-04-17 US disclosed
US-20080019929-A1 Micro-Particulate Organic Uv Absorber Composition CIBA SPECIALTY CHEMICALS CORP. 2008-01-24 US disclosed
EP-0658156-B1 HYDROXYPHENYL-S-TRIAZINES CIBA SC HOLDING AG (CH) 2002-10-09 EP disclosed
US-5942564-A OXIDATION AND HEAT RESISTANCE; PHOTOSTABILITY CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-24 US disclosed
EP-0658156-A1 HYDROXYPHENYL-S-TRIAZINES Ciba SC Holding AG (CH) 1995-06-21 EP disclosed
WO-1994005645-A1 HYDROXYPHENYL-S-TRIAZINES CIBA-GEIGY AG (CH) 1994-03-17 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 (10 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-20080247976-A1 water-resistant cosmetic or dermatological compositions for the UV-photoprotection of human skin and/or hair with enhanced stability to water CUTA, POLR1C, MSH6 TSHR 2856/4885ALOX15 2752/4885ADORA2A 4526/4885
US-20080274069-A1 Cosmetic Preparations Containing Copolymers of Ethyl Methacrylate and at Least One Monoethylenically Unsaturated Carboxylic Acid MCCC2, MMAB, ELOVL3 TSHR 3901/4885ALOX15 35/4885ADORA2A 1589/4885
US-20080089853-A1 Amphoteric Ethyl Methacrylate Copolymers and Use Thereof MEP1A, ACMSD, MEP1B TSHR 4833/4885ALOX15 192/4885ADORA2A 1579/4885
US-20170189277-A1 COMPOSITE PIGMENT AND METHOD FOR PREPARATION THEREOF TYR, RAB5IF, MITF TSHR 3682/4885ALOX15 2880/4885ADORA2A 4755/4885
US-20080247975-A1 Sunscreen and personal care compositions comprising a select copolymer MSH6, CUTA, ERCC5 TSHR 3904/4885ALOX15 3305/4885ADORA2A 4739/4885
US-20080286221-A1 Anionic Ethyl Methacrylate Copolymers and Use Thereof MEP1A, MEP1B, EEF1D TSHR 4843/4885ALOX15 113/4885ADORA2A 2967/4885
US-20150157539-A1 COSMETIC COMPOSITION COMPRISING COMPOSITE PARTICLES MITF, RAB5IF, TYR TSHR 1743/4885ALOX15 1680/4885ADORA2A 3055/4885
US-20080019929-A1 Micro-Particulate Organic Uv Absorber Composition PCNA, FASN, CCNO TSHR 2450/4885ALOX15 25/4885ADORA2A 4107/4885
US-20130309285-A1 COMPOSITE PIGMENT AND METHOD FOR PREPARATION THEREOF TYR, RAB5IF, MITF TSHR 3682/4885ALOX15 2880/4885ADORA2A 4755/4885
US-20150190320-A1 COSMETIC COMPOSITION COMPRISING COMPOSITE SUNSCREEN PARTICLES XPA, ERCC1, ERCC4 TSHR 2451/4885ALOX15 775/4885ADORA2A 3619/4885

“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.