SCHEMBL2626987

SCHEMBL2626987

C1=C(c2ccc(N(c3ccc(C4=Cc5ccccc5CC4)cc3)c3ccc4ccccc4c3)cc2)CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.44
CYP11B1 P15538 5/20 0.44
CYP19A1 P11511 2/20 0.44
NISCH Q9Y2I1 2/20 0.40
PTGS2 P35354 2/20 0.35
KDM1A O60341 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
GSTP1 P09211 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL2627023 0.88 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL13333729 0.85 CYP19A1 (0.34) CYP11B2CYP11B1CYP19A1NISCHESR1
SCHEMBL3414856 0.85 CYP11B2 (0.51) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL13353173 0.84 CYP19A1 (0.34) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL22929182 0.82 CYP19A1 (0.33) CYP11B2CYP11B1CYP19A1NISCH
SCHEMBL13710934 0.82 CYP19A1 (0.33) CYP11B2CYP11B1CYP19A1NISCH
SCHEMBL13333504 0.82 HTT (0.33) CYP11B2CYP11B1CYP19A1NISCHHTT
SCHEMBL25736312 0.82 CYP11B1 (0.41) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL21698363 0.81 CYP19A1 (0.36) CYP11B2CYP11B1CYP19A1NISCHESR1
SCHEMBL2627005 0.81 CYP11B1 (0.34) CYP11B2CYP11B1NISCHL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8164251-B2 Aromatic amine derivatives and organic electroluminescence devices using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-04-24 US disclosed
US-8164251-B2 Aromatic amine derivatives and organic electroluminescence devices using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-04-24 US disclosed
US-20090085468-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-02 US disclosed
US-20090085468-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-02 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 (1 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-20090085468-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME TYR, EML4, MAOA CYP11B2 2449/4885CYP11B1 2926/4885CYP19A1 1510/4885

“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.