SCHEMBL9890131

SCHEMBL9890131

c1cnc2c3cnccc3n(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc(-n4c5ccncc5c5ncccc54)cc36)c2c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
METAP2 P50579 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PDE4D Q08499 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
SCHEMBL9890381 0.96 CYP1A2 (0.31) CYP1A2METAP2NPC1MAPT
SCHEMBL21610882 0.96 MAOA (0.33) CYP1A2METAP2NPC1MAPTPDE4D
SCHEMBL9890576 0.93 PDE4D (0.31) CYP1A2METAP2PDE4D
SCHEMBL9890199 0.92 NCOA1 (0.32) CYP1A2METAP2
SCHEMBL9890128 0.90 CDK4 (0.32) NPC1MAPTPDE4D
SCHEMBL9890448 0.90
SCHEMBL17264916 0.90 MAOA (0.35) CYP1A2METAP2NPC1MAPTPDE4D
SCHEMBL13529128 0.89 CDK4 (0.33) CYP1A2METAP2NPC1MAPT
SCHEMBL14648756 0.89 CDK4 (0.30)
SCHEMBL9890117 0.87 MAPT (0.39) NPC1MAPTPDE4D

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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-01-21 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 (2 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 CYP1A2 1931/4885METAP2 4539/4885NPC1 2467/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 CYP1A2 1931/4885METAP2 4539/4885NPC1 2467/4885

“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.