SCHEMBL3818341

SCHEMBL3818341

CCOc1cccc2c(OCC)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CYP2A6 P11509 1/20 0.53
L3MBTL1 Q9Y468 5/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
NTSR1 P30989 1/20 0.46
CCR6 P51684 1/20 0.46
MCL1 Q07820 1/20 0.46
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PABPC1 P11940 1/20 0.44
HTR1B P28222 1/20 0.44
GRK6 P43250 1/20 0.44

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
SCHEMBL30503999 1.00 ALDH1A1 (0.54) ALDH1A1CYP2A6L3MBTL1MAPTNPSR1
SCHEMBL15772901 0.91 SYK (0.47) ALDH1A1CYP2A6MAPTNPSR1LMNA
SCHEMBL50817 0.90 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL29378631 0.90 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL4399982 0.89 CYP2A6 (0.50) ALDH1A1CYP2A6L3MBTL1MAPTNPSR1
SCHEMBL26407951 0.89 CYP2A6 (0.46) ALDH1A1CYP2A6L3MBTL1MAPTNPSR1
SCHEMBL7835591 0.89 CYP2A6 (0.54) ALDH1A1CYP2A6L3MBTL1MAPTNPSR1
SCHEMBL7835587 0.87 CYP2A6 (0.45) ALDH1A1CYP2A6L3MBTL1MAPTNPSR1
SCHEMBL3593818 0.87 IDO1 (0.50) ALDH1A1CYP2A6L3MBTL1MAPTNPSR1
SCHEMBL1807392 0.87 ALDH1A1 (0.64) ALDH1A1CYP2A6L3MBTL1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608321-B1 CHARGE TRANSFER COMPLEXES AND PHOTOCONDUCTIVE COMPOSITIONS DU PONT (US) 1996-12-18 EP claimed
EP-0608321-A1 CHARGE TRANSFER COMPLEXES AND PHOTOCONDUCTIVE COMPOSITIONS. DU PONT (US) 1994-08-03 EP claimed
US-5250378-A Charge transfer complexes and photoconductive compositions containing fullerenes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-05 US claimed
WO-1993008509-A1 CHARGE TRANSFER COMPLEXES AND PHOTOCONDUCTIVE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-29 WO claimed
US-11814527-B2 Three-dimensional printing with supramolecular templated hydrogels TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-11-14 US disclosed
CN-116360211-A Chemically amplified positive photosensitive resin composition, protective film, and element having protective film 奇美实业股份有限公司 2023-06-30 CN disclosed
US-20220214617-A1 MATERIAL FOR FORMING ORGANIC FILM, PATTERNING PROCESS, COMPOUND, AND POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-07-07 US disclosed
US-20220214618-A1 MATERIAL FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-07-07 US disclosed
EP-4020083-A1 MATERIAL FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-29 EP disclosed
EP-2692796-B1 COMPOSITION SUMITOMO CHEMICAL CO (JP) 2019-07-10 EP disclosed
US-9465288-B2 Sulfonium salt compound, method for producing the same, and photoacid generator DSP GOKYO FOOD & CHEMICAL CO., LTD. (JP) 2016-10-11 US disclosed
US-20150293445-A1 NOVEL SULFONIUM SALT COMPOUND, METHOD FOR PRODUCING THE SAME, AND PHOTOACID GENERATOR MP GOKYO FOOD & CHEMICAL CO., LTD. (JP) 2015-10-15 US disclosed
US-6656328-B2 Subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in presence of basic compound or acid to deprotect the protecting groups of hydroxy group of polyhydric alcohol compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-12-02 US disclosed
EP-1298115-A1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS National Institute of Advanced Industrial Science and Technology (JP) 2003-04-02 EP disclosed
US-20020157939-A1 Process for preparation of polyhydric alcohols NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-10-31 US disclosed
EP-0608321-B1 CHARGE TRANSFER COMPLEXES AND PHOTOCONDUCTIVE COMPOSITIONS DU PONT (US) 1996-12-18 EP disclosed
EP-0608321-A1 CHARGE TRANSFER COMPLEXES AND PHOTOCONDUCTIVE COMPOSITIONS. DU PONT (US) 1994-08-03 EP disclosed
US-5250378-A Charge transfer complexes and photoconductive compositions containing fullerenes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-05 US disclosed
WO-1993008509-A1 CHARGE TRANSFER COMPLEXES AND PHOTOCONDUCTIVE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-29 WO disclosed
US-4229274-A PHOTOINITIATOR, PHOTOSENSITIZER, QUENCHER, AND COMPOUNDS CONTAINING ACRYLYLOXY GROUPS PPG INDUSTRIES, INC. (US) 1980-10-21 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-20150293445-A1 NOVEL SULFONIUM SALT COMPOUND, METHOD FOR PRODUCING THE SAME, AND PHOTOACID GENERATOR FGFR1, ARSA, PAOX ALDH1A1 2824/4885CYP2A6 282/4885L3MBTL1 4756/4885
US-20220214617-A1 MATERIAL FOR FORMING ORGANIC FILM, PATTERNING PROCESS, COMPOUND, AND POLYMER RER1, SMC4, RAD51 ALDH1A1 2590/4885CYP2A6 2194/4885L3MBTL1 2787/4885
US-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 ALDH1A1 315/4885CYP2A6 2452/4885L3MBTL1 4550/4885

“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.