SCHEMBL4920770

SCHEMBL4920770

CCc1cc2c(sc3cc(Br)ccc32)c(CC)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
RXFP1 Q9HBX9 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
PRNP P04156 1/20 0.35
PPARG P37231 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
RAB9A P51151 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 3/20 0.32
HRH4 Q9H3N8 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL4911192 0.86 ESR1 (0.35) ESR1ESR2RXFP1CYP1A2CYP2C9
SCHEMBL4922910 0.83 CYP1A2 (0.39) ESR1ESR2RXFP1CYP1A2CYP2C9
SCHEMBL4922195 0.83 ATM (0.33) ATML3MBTL1
SCHEMBL4919794 0.83 MCL1 (0.39) RXFP1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL4922518 0.83 KDM4E (0.31)
SCHEMBL4920612 0.81 ESR2 (0.47) ESR1ESR2RXFP1CYP1A2CYP2C9
SCHEMBL4919636 0.80 MEN1 (0.36) ESR1ESR2MEN1KMT2A
SCHEMBL4920699 0.78 KDM4E (0.33) MEN1KMT2A
SCHEMBL4912998 0.78 HRH4 (0.34) ESR1ESR2RXFP1CYP1A2CYP2C9
SCHEMBL4924006 0.78 ESR1 (0.36) ESR1ESR2ATML3MBTL1

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 ESR1 2072/4885ESR2 2313/4885RXFP1 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 ESR1 4181/4885ESR2 2947/4885RXFP1 3460/4885
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME CCNT1, CCNA1, BPNT1 ESR1 1909/4885ESR2 1398/4885RXFP1 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 ESR1 4143/4885ESR2 2899/4885RXFP1 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.