SCHEMBL9971807

SCHEMBL9971807

c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cc5ccccc5cc34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.47
ESR2 Q92731 7/20 0.47
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 2/20 0.38
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CRHR2 Q13324 1/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL9971946 0.98 ESR1 (0.46) ESR1ESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL9971927 0.96 ESR1 (0.46) ESR1ESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL9971928 0.93 ALOX5 (0.44) ESR1ESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL18135346 0.90 ESR1 (0.42) ESR1ESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL12442831 0.90 ALOX5 (0.44) ESR1ESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL10085752 0.89 ESR1 (0.41) ESR1ESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL12703059 0.89 ESR1 (0.41) ESR1ESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL10063914 0.89 ESR1 (0.41) ESR1ESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL9971791 0.89 RELA (0.45) ESR1ESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL25778287 0.89 ESR1 (0.38) ESR1ESR2ALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120241730-A1 ORGANIC EL ELEMENT AND METHOD FOR MANUFACTURING ORGANIC EL ELEMENT TORAY INDUSTRIES, INC. (JP) 2012-09-27 US disclosed
US-20120241730-A1 ORGANIC EL ELEMENT AND METHOD FOR MANUFACTURING ORGANIC EL ELEMENT TORAY INDUSTRIES, INC. (JP) 2012-09-27 US disclosed
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-20070202354-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO.,LTD (JP) 2007-08-30 US disclosed
US-20070202354-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO.,LTD (JP) 2007-08-30 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 ESR1 132/4885ESR2 411/4885ALDH1A1 2388/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ESR1 132/4885ESR2 411/4885ALDH1A1 2388/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 ESR1 98/4885ESR2 64/4885ALDH1A1 699/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ESR1 132/4885ESR2 411/4885ALDH1A1 2388/4885

“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.