SCHEMBL4922476

SCHEMBL4922476

Oc1ccc2c(c1)sc1cc(Cl)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCKDK O14874 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ MIF P14174 1/20 0.46
▸ ESR1 P03372 7/20 0.44
▸ TSHR P16473 3/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL24343672 0.90 BCKDK (0.45) BCKDKMCL1RXFP1MIFESR1
SCHEMBL24343656 0.90 KDM4E (0.46) BCKDKMCL1RXFP1MIFESR1
SCHEMBL4922527 0.87 BCKDK (0.53) BCKDKMCL1RXFP1NPC1RAB9A
SCHEMBL29980342 0.87 HTT (0.44) ESR1ESR2RAB9AHSD17B10KDM4E
SCHEMBL31228783 0.87 BCKDK (0.53) BCKDKMCL1RXFP1NPC1RAB9A
SCHEMBL3874783 0.87 HTT (0.44) ESR1ESR2RAB9AHSD17B10KDM4E
SCHEMBL22375225 0.82 BCKDK (0.50) BCKDKMCL1RXFP1TSHRNPC1
SCHEMBL16527316 0.81 KDM4E (0.61) BCKDKMCL1RXFP1MIFESR1
SCHEMBL24343663 0.79 KDM4E (0.50) MIFESR1TSHRESR2HSD17B10
SCHEMBL31012019 0.77 KDM4E (0.61) BCKDKMCL1RXFP1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357209-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2023-11-09 — — US disclosed
US-20230286882-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION LG CHEM, LTD. (KR) 2023-09-14 — — US disclosed
US-20230286882-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION LG CHEM, LTD. (KR) 2023-09-14 — — US disclosed
EP-4177238-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED COMPOSITION Lg Chem, Ltd. (KR) 2023-05-10 — — EP disclosed
US-20230018666-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND, AND DEUTERATED REACTIVE COMPOSITION LG CHEM, LTD. (KR) 2023-01-19 — — US disclosed
WO-2022045825-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED COMPOSITION 주식회사 엘지화학 2022-03-03 — — WO disclosed
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME SEKINE CHIZU 2008-06-12 — — US disclosed
US-20070057229-A1 COMPOUND HAVING PHENYLACETYLENE STRUCTURE, LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC PRODUCT, OPTICAL OR LIQUID CRYSTAL ELEMENT, DIBENZOTHIOPHENE COMPOUND, INTERMEDIATE, AND PROCESS FOR PRODUCING THE SAME SEKINE CHIZU 2007-03-15 — — US disclosed
US-7135579-B2 Dibenzothiophene oxide compound, and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-14 — — US disclosed
US-6849202-B2 COMPOUND HAVING PHENYLACETYLENE STRUCTURE, LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC PRODUCT, OPTICAL OR LIQUID CRYSTAL ELEMENT, DIBENZOTHIOPHENE COMPOUND, INTERMEDIATE, AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-01 — — US disclosed
US-20040232384-A1 Compound having phenylacetylene structure, liquid crystal composition, polymer, optically anisotropic product, optical or liquid crystal element, dibenzothiophene compound, intermediate, and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED 2004-11-25 — — US disclosed
US-20020110650-A1 Compound having phenylacetylene structure, liquid crystal composition, polymer, optically anisotropic product, optical or liquid crystal element, dibenzothiophene compound, intermediate, and process for producing the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2002-08-15 — — 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 (7 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-20230018666-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND, AND DEUTERATED REACTIVE COMPOSITION AHR, TYR, ARNT BCKDK 3009/4885MCL1 2478/4885RXFP1 3498/4885
US-20230286882-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION AHR, PAH, HDHD5 BCKDK 855/4885MCL1 3547/4885RXFP1 3710/4885
US-20230357209-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE CYP1A1, CYP1B1, ODC1 BCKDK 986/4885MCL1 1358/4885RXFP1 4578/4885
US-20070057229-A1 COMPOUND HAVING PHENYLACETYLENE STRUCTURE, LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC PRODUCT, OPTICAL OR LIQUID CRYSTAL ELEMENT, DIBENZOTHIOPHENE COMPOUND, INTERMEDIATE, AND PROCESS FOR PRODUCING THE SAME CCNT1, CCNA1, CCNT2 BCKDK 2770/4885MCL1 3161/4885RXFP1 2831/4885
US-20040232384-A1 Compound having phenylacetylene structure, liquid crystal composition, polymer, optically anisotropic product, optical or liquid crystal element, dibenzothiophene compound, intermediate, and process for producing the same CCNT1, BPNT1, PEAK1 BCKDK 2841/4885MCL1 3538/4885RXFP1 3460/4885
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME CCNT1, CCNA1, BPNT1 BCKDK 3145/4885MCL1 2960/4885RXFP1 3970/4885
US-20020110650-A1 Compound having phenylacetylene structure, liquid crystal composition, polymer, optically anisotropic product, optical or liquid crystal element, dibenzothiophene compound, intermediate, and process for producing the same CCNT1, NAT1, PEAK1 BCKDK 3127/4885MCL1 3619/4885RXFP1 3236/4885

“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.

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