SCHEMBL6517631

SCHEMBL6517631

Brc1ccc(/C=C(\c2ccccc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
CYP19A1 P11511 2/20 0.57
CYP11B2 P19099 2/20 0.57
ESR2 Q92731 1/20 0.54
PTGS2 P35354 5/20 0.53
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CYP1B1 Q16678 1/20 0.46

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
SCHEMBL6517636 1.00 ESR1 (0.59) ESR1CYP19A1CYP11B2ESR2PTGS2
SCHEMBL1652775 0.98 CYP19A1 (0.59) ESR1CYP19A1CYP11B2ESR2PTGS2
SCHEMBL987335 0.96 ESR1 (0.64) ESR1CYP19A1CYP11B2ESR2PTGS2
SCHEMBL14928213 0.96 ESR1 (0.64) ESR1CYP19A1CYP11B2ESR2PTGS2
SCHEMBL6675573 0.94 ESR1 (0.53) ESR1CYP19A1CYP11B2ESR2PTGS2
SCHEMBL6675575 0.94 ESR1 (0.53) ESR1CYP19A1CYP11B2ESR2PTGS2
SCHEMBL15607138 0.92 CYP19A1 (0.53) ESR1CYP19A1CYP11B2ESR2PTGS2
SCHEMBL21738730 0.91 ESR1 (0.62) ESR1CYP19A1CYP11B2ESR2PTGS2
SCHEMBL19660691 0.90 ALDH1A1 (0.56) ESR1CYP19A1CYP11B2ESR2PTGS2
SCHEMBL13026494 0.87 MEN1 (0.49) ESR1CYP19A1CYP11B2ESR2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US disclosed
EP-1155096-B1 FLUORENE COPOLYMERS AND DEVICES MADE THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2005-03-09 EP disclosed
US-6353083-B1 CONJUGATED COPOLYMER COMPRISING UNITS DERIVED FROM 9-SUBSTITUTED FLUORENE MONOMERS AND/OR 9,9-DISUBSTITUTED FLUORENE MONOMERS AND TWO DISTINCT RESIDUAL MONOMERIC UNITS THAT HAVE HOLE TRANSPORTING PROPERTIES THE DOW CHEMICAL COMPANY 2002-03-05 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-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ESR1 132/4885CYP19A1 1811/4885CYP11B2 1068/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ESR1 132/4885CYP19A1 1811/4885CYP11B2 1068/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 ESR1 98/4885CYP19A1 788/4885CYP11B2 2716/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ESR1 132/4885CYP19A1 1811/4885CYP11B2 1068/4885

“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.