SCHEMBL1258034

SCHEMBL1258034

OCc1ccc2cccc3c4cccc5cccc(c1c23)c54

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 5/20 0.54
CYP1A2 P05177 4/20 0.54
HPGD P15428 4/20 0.54
THRB P10828 1/20 0.54
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 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
SCHEMBL23781282 0.90 CYP1A2 (0.64) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL2312283 0.86 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5830298 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL31137914 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL31137916 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL2314747 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL10588756 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL31302320 0.81 CYP1A2 (0.44) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL29503684 0.81 KMT2A (0.56) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL29397724 0.81 KMT2A (0.56) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11815475-B2 Method for identifying molecular structure THE UNIVERSITY OF TOKYO (JP) 2023-11-14 US disclosed
EP-3591387-B1 METHOD FOR IDENTIFYING MOLECULAR STRUCTURE UNIV TOKYO (JP) 2023-09-27 EP disclosed
CN-114929158-A Method for producing a denture, curable composition for photo-molding, and kit for producing a denture 株式会社德山齿科 2022-08-19 CN disclosed
US-20200096461-A1 METHOD FOR IDENTIFYING MOLECULAR STRUCTURE THE UNIVERSITY OF TOKYO (JP) 2020-03-26 US disclosed
CN-110437352-A A kind of cationic photopolymerization crystalline monomer mixed system and its application UNIV BEIJING CHEM TECH 2019-11-12 CN disclosed
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2011-02-03 US disclosed
US-20100280234-A1 Photocleavable Protecting Groups and Methods for Their Use AFFYMETRIX, INC. (US) 2010-11-04 US disclosed
US-20100207078-A1 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2010-08-19 US disclosed
US-7470783-B2 Photocleavable protecting groups and methods for their use AFFYMETRIX, INC. (US) 2008-12-30 US disclosed
WO-2008008481-A2 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER GEORGIA TECH RESEARCH CORPORATION (US) 2008-01-17 WO disclosed
US-20050266148-A1 Photocleavable protecting groups and methods for their use AFFYMETRIX, INC., A DELAWARE CORPORATION 2005-12-01 US disclosed
US-6881836-B2 Photocleavable protecting groups and methods for their use AFFYMETRIX, INC (US) 2005-04-19 US disclosed
US-20030144499-A1 Photocleavable protecting groups and methods for their use AFFYMETRIX, INC. (US) 2003-07-31 US disclosed
US-6566515-B1 Performing photochemical reactions on a surface; prepare chemical mixture, apply to surface, irradiate, monitor generation of reaction product AFFYMETRIX, INC. 2003-05-20 US disclosed
US-6147205-A ARYLALKYLOXYCARBONYL GROUPS; FOR SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDES AND POLYPEPTIDES AFFYMETRIX, INC. (US) 2000-11-14 US disclosed
US-6022963-A BINDING A MOLECULE WITH A PHOTOLABILE PROTECTING GROUP TO A SUPPORT WITH A REACTIVE SITE, THEN DEBLOCKING MOLECULE FORMING DERIVITIZED SUPPORT WITH IMMOBILIZED MOLECULE REACTIVE SITE AFFYMETRIX, INC. (US) 2000-02-08 US disclosed
WO-1998039348-A9 PHOTOCLEAVABLE PROTECTING GROUPS AND METHODS FOR THEIR USE 1999-02-18 WO disclosed
WO-1998039348-A1 PHOTOCLEAVABLE PROTECTING GROUPS AND METHODS FOR THEIR USE AFFYMETRIX, INC. (US) 1998-09-11 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 (4 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-20100280234-A1 Photocleavable Protecting Groups and Methods for Their Use RNF168, RTCB, C9 ALDH1A1 2723/4885HSD17B10 3370/4885CYP1A2 3011/4885
US-20100207078-A1 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER GPX4, ERCC4, CYBA ALDH1A1 947/4885HSD17B10 2956/4885CYP1A2 4093/4885
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, ERCC5, FBL ALDH1A1 2363/4885HSD17B10 4293/4885CYP1A2 3707/4885
US-20030144499-A1 Photocleavable protecting groups and methods for their use RTCB, RRS1, GAR1 ALDH1A1 3523/4885HSD17B10 3641/4885CYP1A2 4112/4885

“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.