SCHEMBL4917282

SCHEMBL4917282

CCc1c(O)ccc2c1sc1cc(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.39
BCKDK O14874 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
ALOX15 P16050 3/20 0.36
HIF1A Q16665 3/20 0.36
ALOX12 P18054 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSP90AA1 P07900 2/20 0.36
CYP3A4 P08684 2/20 0.36
HTT P42858 2/20 0.36
SLC22A1 O15245 1/20 0.36
USP2 O75604 1/20 0.36
HSPD1 P10809 1/20 0.36
HSPA5 P11021 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL4919532 0.84 MCL1 (0.37) MCL1BCKDKRXFP1MAPTMEN1
SCHEMBL4916026 0.82 MAPT (0.36) MCL1BCKDKRXFP1MAPTMEN1
SCHEMBL4922946 0.82 MCL1 (0.36) MCL1BCKDKRXFP1MAPTMEN1
SCHEMBL4920612 0.82 ESR2 (0.47) RXFP1MAPTMEN1KMT2ALMNA
SCHEMBL4920721 0.82 ESR1 (0.33) ESR1ESR2ALOX5ATML3MBTL1
SCHEMBL4922590 0.81 ESR2 (0.33) MAPTLMNAHPGDHSP90AA1CASP1
SCHEMBL4919794 0.81 MCL1 (0.39) MCL1BCKDKRXFP1MAPTMEN1
SCHEMBL4912236 0.80 BCKDK (0.41) MCL1BCKDKRXFP1MAPTMEN1
SCHEMBL4922876 0.78 MCL1 (0.41) MCL1BCKDKRXFP1MAPTMEN1
SCHEMBL4913299 0.78 ESR2 (0.34) HPGDCYP3A4CASP1HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 MCL1 3161/4885BCKDK 2770/4885RXFP1 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 MCL1 3538/4885BCKDK 2841/4885RXFP1 3460/4885
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME CCNT1, CCNA1, BPNT1 MCL1 2960/4885BCKDK 3145/4885RXFP1 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 MCL1 3619/4885BCKDK 3127/4885RXFP1 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.