SCHEMBL9972003

SCHEMBL9972003

Brc1ccc(/C=C/c2ccc(Br)c3ccccc23)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 2/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.35
HSD11B1 P28845 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL13242775 0.83 NFE2L2 (0.50) RXFP1MAPTLMNAALDH1A1HPGD
SCHEMBL9973882 0.82 MAOB (0.52) MAPTLMNAALDH1A1KDM4EMAPK1
SCHEMBL9971878 0.82 NPC1 (0.43) RXFP1MAPTLMNAALDH1A1HPGD
SCHEMBL1036576 0.81 MEN1 (0.46) RXFP1LMNAALDH1A1MEN1KMT2A
SCHEMBL29992439 0.81 MEN1 (0.46) RXFP1LMNAALDH1A1MEN1KMT2A
SCHEMBL31656346 0.81 ALDH1A1 (0.38) RXFP1CYP1A2HTR6MAPTLMNA
SCHEMBL30710586 0.81 RXFP1 (0.48) RXFP1CYP1A2HTR6MAPTLMNA
SCHEMBL198796 0.81 RXFP1 (0.48) RXFP1CYP1A2HTR6MAPTLMNA
SCHEMBL29429114 0.81 RXFP1 (0.48) RXFP1CYP1A2HTR6MAPTLMNA
SCHEMBL20562851 0.79 RXRA (0.60) CYP1A2MAPTLMNAALDH1A1HPGD

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 7 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

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 RXFP1 1081/4885CYP1A2 919/4885HTR6 3691/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 RXFP1 1081/4885CYP1A2 919/4885HTR6 3691/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 RXFP1 756/4885CYP1A2 1066/4885HTR6 404/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 RXFP1 1081/4885CYP1A2 919/4885HTR6 3691/4885

“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.