SCHEMBL4922212

SCHEMBL4922212

Cc1cc2c(cc1Br)sc1cc(Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
MCL1 Q07820 3/20 0.39
BCKDK O14874 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 5/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
BCL2L1 Q07817 2/20 0.34
BCL2 P10415 1/20 0.34
BAD Q92934 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL4920903 0.83 STING1 (0.35)
SCHEMBL4912622 0.82 CYP2A6 (0.42) CYP2A6MCL1BCKDKRXFP1MAPT
SCHEMBL4920016 0.82 IDO1 (0.33) RXFP1MAPTKMT2ANPC1RAB9A
SCHEMBL4920650 0.80 CD44 (0.34)
SCHEMBL4926417 0.80 BCKDK (0.37) MCL1BCKDKRXFP1MAPTKMT2A
SCHEMBL4913561 0.79 MCL1 (0.42) CYP2A6MCL1BCKDKRXFP1MAPT
SCHEMBL4913534 0.79 CYP2A6 (0.40) CYP2A6MCL1BCKDKRXFP1MAPT
SCHEMBL4911251 0.79 ESR1 (0.31) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4912377 0.79 ESR1 (0.38) MCL1GAAKDM4EALDH1A1HPGD
SCHEMBL22375225 0.79 BCKDK (0.50) CYP2A6MCL1BCKDKRXFP1MAPT

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 CYP2A6 201/4885MCL1 3161/4885BCKDK 2770/4885
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 CYP2A6 985/4885MCL1 3538/4885BCKDK 2841/4885
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME CCNT1, CCNA1, BPNT1 CYP2A6 1026/4885MCL1 2960/4885BCKDK 3145/4885
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 CYP2A6 1342/4885MCL1 3619/4885BCKDK 3127/4885

“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.