SCHEMBL13299337

SCHEMBL13299337

COc1ccccc1-c1nc(-c2ccccc2C)nc(-c2ccccc2O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MAPK1 P28482 3/20 0.49
S1PR1 P21453 1/20 0.48
TSHR P16473 4/20 0.47
TP53 P04637 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 5/20 0.45
HCRTR1 O43613 2/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
HSD17B10 Q99714 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL4467732 0.92 MAPK1 (0.56) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL10034853 0.87 MAPK1 (0.61) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL10439544 0.87 MAPK1 (0.61) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL4455855 0.84 TSHR (0.62) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL4021180 0.82 TSHR (0.59) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL12202824 0.81 MAPK1 (0.43) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL23066466 0.81 ALDH1A1 (0.61) NPSR1MAPK1TSHRTP53CA1
SCHEMBL12216379 0.81 NPC1 (0.51) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL13299331 0.81 NR1H4 (0.57) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL15005350 0.79 SIRT5 (0.58) KMT2AMEN1MAPTMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100135936-A1 Delivery of hydrophobic benefit agents from bodywashes and the like onto a keratinous substrate BASF SE (DE) 2010-06-03 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-20080019929-A1 Micro-Particulate Organic Uv Absorber Composition CIBA SPECIALTY CHEMICALS CORP. 2008-01-24 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 (5 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 KMT2A 3806/4885MEN1 1461/4885MAPT 110/4885
US-20080274069-A1 Cosmetic Preparations Containing Copolymers of Ethyl Methacrylate and at Least One Monoethylenically Unsaturated Carboxylic Acid MCCC2, MMAB, ELOVL3 KMT2A 1549/4885MEN1 50/4885MAPT 3225/4885
US-20080247975-A1 Sunscreen and personal care compositions comprising a select copolymer MSH6, CUTA, ERCC5 KMT2A 4065/4885MEN1 777/4885MAPT 145/4885
US-20100135936-A1 Delivery of hydrophobic benefit agents from bodywashes and the like onto a keratinous substrate KRT18, ABHD16A, CUTA KMT2A 346/4885MEN1 3484/4885MAPT 3019/4885
US-20080019929-A1 Micro-Particulate Organic Uv Absorber Composition PCNA, FASN, CCNO KMT2A 4285/4885MEN1 367/4885MAPT 439/4885

“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.