SCHEMBL4921928

SCHEMBL4921928

Cc1c(O)ccc2c1sc1cc(Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.43
ALOX15 P16050 2/20 0.38
HRH4 Q9H3N8 3/20 0.35
ERN1 O75460 2/20 0.35
ALOX5 P09917 1/20 0.35
ESR1 P03372 5/20 0.35
CES2 O00748 1/20 0.34
GALR3 O60755 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR35 Q9HC97 1/20 0.33
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32

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
SCHEMBL25995851 0.83 ESR1 (0.41) ESR2ALOX15ALOX5ESR1CYP2C9
SCHEMBL4918984 0.83 HRH4 (0.36) HRH4
SCHEMBL4921343 0.81 ESR2 (0.46) ESR2ALOX5ESR1GAAKDM4E
SCHEMBL4921704 0.81 ALDH1A1 (0.35) ESR2HRH4CYP1A2CYP2C9CYP2C19
SCHEMBL4915810 0.80 HRH4 (0.35) HRH4ALDH1A1
SCHEMBL4912740 0.80 ALOX5 (0.35) ESR2ERN1ALOX5ESR1GPR35
SCHEMBL4924195 0.80 HRH4 (0.35) HRH4
SCHEMBL4912236 0.80 BCKDK (0.41) ALOX15HRH4ALOX5CYP2C9HPGD
SCHEMBL4920612 0.80 ESR2 (0.47) ESR2ALOX15HRH4ERN1ALOX5
SCHEMBL24343665 0.78 ALOX5 (0.42) ESR2ALOX15HRH4ERN1ALOX5

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 ESR2 2313/4885ALOX15 528/4885HRH4 586/4885
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 ESR2 2947/4885ALOX15 672/4885HRH4 188/4885
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME CCNT1, CCNA1, BPNT1 ESR2 1398/4885ALOX15 206/4885HRH4 202/4885
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 ESR2 2899/4885ALOX15 337/4885HRH4 513/4885

“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.