SCHEMBL3825385

SCHEMBL3825385

CCOc1ccc2cc(OCC)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.68
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CYP1A2 P05177 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
CYP19A1 P11511 1/20 0.55
TSHR P16473 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52

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
SCHEMBL29629327 1.00 NQO1 (0.68) NQO1CA12CA1CYP1A2CA4
SCHEMBL29779700 0.95 NQO1 (0.62) NQO1CA12CA1CYP1A2CA4
SCHEMBL23458226 0.95 NQO1 (0.62) NQO1CA12CA1CYP1A2CA4
SCHEMBL3821099 0.95 NQO1 (0.62) NQO1CA12CA1CYP1A2CA4
SCHEMBL18417197 0.91 NQO1 (0.56) NQO1CA12CA1CYP1A2CA4
SCHEMBL30209608 0.91 AGXT (0.63) NQO1CA12CA1CYP1A2CA4
SCHEMBL17629449 0.91 AGXT (0.63) NQO1CA12CA1CYP1A2CA4
SCHEMBL2662879 0.91 CYP11B1 (0.65) NQO1CA12CA1CYP1A2CA4
SCHEMBL111274 0.91 AGXT (0.63) NQO1CA12CA1CYP1A2CA4
SCHEMBL29357645 0.91 AGXT (0.63) NQO1CA12CA1CYP1A2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206435-A Hetero [4] arene macrocyclic compound, preparation method thereof and application thereof in detection of silver ions and iron ions 东北大学 2024-06-18 CN claimed
CN-118206435-A Hetero [4] arene macrocyclic compound, preparation method thereof and application thereof in detection of silver ions and iron ions 东北大学 2024-06-18 CN disclosed
US-11814527-B2 Three-dimensional printing with supramolecular templated hydrogels TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-11-14 US disclosed
CN-116830039-A Photosensitive resin composition, photosensitive resin sheet, cured product, hollow structure, electronic component, and elastic wave filter 东丽株式会社 2023-09-29 CN disclosed
WO-2023153390-A1 PHOTOSENSITIVE RESIN SHEET, CURED FILM, AND MULTILAYER WIRING SUBSTRATE 東レ株式会社 2023-08-17 WO 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
CN-114730127-B Photosensitive resin composition, photosensitive resin sheet, hollow structure, cured product, method for producing hollow structure, electronic component, and elastic wave filter 东丽株式会社 2023-05-12 CN disclosed
WO-2022163610-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE RESIN SHEET, CURED PRODUCT, HOLLOW STRUCTURE, ELECTRONIC COMPONENT, AND ELASTIC WAVE FILTER 東レ株式会社 2022-08-04 WO disclosed
CN-114730127-A Photosensitive resin composition, photosensitive resin sheet, hollow structure, cured product, method for producing hollow structure, electronic component, and elastic wave filter 东丽株式会社 2022-07-08 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-10474031-B2 Photosensitive resin composition, photosensitive resin composition film, cured product, insulating film and multilayer wiring board TORAY INDUSTRIES, INC. (JP) 2019-11-12 US disclosed
US-20180052391-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION FILM, CURED PRODUCT, INSULATING FILM AND MULTILAYER WIRING BOARD TORAY INDUSTRIES, INC. (JP) 2018-02-22 US disclosed
EP-3276414-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION FILM, CURED PRODUCT, INSULATING FILM AND MULTILAYER WIRING BOARD Toray Industries, Inc. (JP) 2018-01-31 EP disclosed
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed
US-20170033290-A1 FLUOROALKYLFLUORENE DERIVATIVES LOMOX LIMITED (GB) 2017-02-02 US disclosed
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP 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
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-20170033290-A1 FLUOROALKYLFLUORENE DERIVATIVES FLNB, AFF2, EFHD2 NQO1 1228/4885CA12 4116/4885CA1 4568/4885
US-20220214617-A1 MATERIAL FOR FORMING ORGANIC FILM, PATTERNING PROCESS, COMPOUND, AND POLYMER RER1, SMC4, RAD51 NQO1 4374/4885CA12 2285/4885CA1 1290/4885
US-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 NQO1 1435/4885CA12 512/4885CA1 195/4885

“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.