Sugi Predict

Sugi Predict / Compounds / SCHEMBL9971845

SCHEMBL9971845

SCHEMBL9971845

C(=C(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4cc4c(-c5ccc(N(c6ccccc6)c6ccc(C=C(c7ccccc7)c7ccccc7)cc6)cc5)c5ccccc5cc34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ PTGS2 P35354 5/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ ESR1 P03372 4/20 0.36
▸ GPR84 Q9NQS5 1/20 0.34
▸ ESR2 Q92731 3/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2213422 0.96 ALOX5 (0.40) CYP19A1CYP11B2PTGS2ALOX5ESR1
SCHEMBL2085035 0.89 CYP19A1 (0.44) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL12513251 0.89 PTGS2 (0.44) CYP19A1CYP11B2PTGS2ALOX5ESR1
SCHEMBL13027920 0.88 CYP19A1 (0.39) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL9971838 0.88 CYP19A1 (0.42) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL12774521 0.88 CYP19A1 (0.42) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL13511074 0.88 CYP19A1 (0.36) CYP19A1CYP11B2PTGS2ALOX5ESR1
SCHEMBL16231505 0.86 ESR1 (0.36) CYP19A1CYP11B2PTGS2ALOX5ESR1
SCHEMBL9971759 0.86 CYP19A1 (0.44) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL987188 0.86 ALOX5 (0.47) CYP19A1CYP11B2PTGS2ALOX5ESR1

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 CYP19A1 1811/4885CYP11B2 1068/4885PTGS2 3108/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 CYP19A1 1811/4885CYP11B2 1068/4885PTGS2 3108/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 CYP19A1 788/4885CYP11B2 2716/4885PTGS2 4583/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 CYP19A1 1811/4885CYP11B2 1068/4885PTGS2 3108/4885

“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.