SCHEMBL1744148

SCHEMBL1744148

CN(C)c1ccccc1.OBO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
TSHR P16473 4/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
HPGD P15428 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RELA Q04206 1/20 0.50
GFER P55789 1/20 0.48
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.43
CHKA P35790 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 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
Methyl Alcohol SCHEMBL27883706 0.88 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10ALOX15HPGD
Methyl Alcohol SCHEMBL28992242 0.88 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10ALOX15HPGD
SCHEMBL10557768 0.88 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10ALOX15HPGD
SCHEMBL21208167 0.88 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10ALOX15HPGD
SCHEMBL16187039 0.88
SCHEMBL8277 0.88
SCHEMBL7879117 0.88
SCHEMBL28393629 0.86 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10ALOX15HPGD
Hypochlorous Acid SCHEMBL7537014 0.86 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10ALOX15HPGD
Trimethylammonium SCHEMBL2531877 0.85 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114616255-A Biphenol polymerization catalyst 陶氏环球技术有限责任公司 2022-06-10 CN disclosed
WO-2020022135-A1 OPTICAL FILTER AND DISPLAY DEVICE 住友化学株式会社 2020-01-30 WO disclosed
WO-2020022134-A1 COMPOUND AND METHOD FOR PRODUCING SAME 住友化学株式会社 2020-01-30 WO disclosed
US-9611281-B2 BODIPY derivatives and methods of synthesis and use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-04-04 US disclosed
US-20150158888-A1 BODIPY Derivatives and Methods of Synthesis and Use Thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2015-06-11 US disclosed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
EP-2233470-A1 Histamine H3 receptor antagonists High Point Pharmaceuticals, LLC (US) 2010-09-29 EP disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP disclosed
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED 2003-06-26 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 US disclosed
EP-1003504-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
WO-1999007351-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 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 (6 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-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 ALDH1A1 4021/4885TSHR 1175/4885HSD17B10 3507/4885
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM ALDH1A1 2329/4885TSHR 876/4885HSD17B10 1283/4885
US-20150158888-A1 BODIPY Derivatives and Methods of Synthesis and Use Thereof FDPS, FDFT1, BCR ALDH1A1 1668/4885TSHR 3303/4885HSD17B10 1438/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ALDH1A1 317/4885TSHR 4624/4885HSD17B10 535/4885
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds CCL2, CCL11, CCR1 ALDH1A1 1888/4885TSHR 3919/4885HSD17B10 1913/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ALDH1A1 198/4885TSHR 4667/4885HSD17B10 547/4885

“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.