SCHEMBL9890314

SCHEMBL9890314

c1cc(-n2c3ccccc3c3cccnc32)c2oc3cc4c(cc3c2c1)oc1c(-n2c3ccccc3c3cccnc32)cccc14

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.32
FEN1 P39748 1/20 0.32
CCNT1 O60563 1/20 0.32
PIM1 P11309 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL9890325 0.90 KDM4E (0.33) KDM4EFEN1ALDH1A1CYP2C19TSHR
SCHEMBL5028008 0.89 MAPT (0.33) KDM4EFEN1ALDH1A1CYP2C19TSHR
SCHEMBL9890308 0.88 PDE4D (0.33) KDM4ECYP2C19L3MBTL1GAAHPGD
SCHEMBL9890321 0.87 PDPK1 (0.34)
SCHEMBL9890307 0.87 DDB1 (0.37) ACHE
SCHEMBL2604856 0.85 ALDH1A1 (0.41) KDM4EALDH1A1CYP2C19TSHRL3MBTL1
SCHEMBL9890306 0.84 CYP1A2 (0.36) KDM4EALDH1A1CYP2C19TSHRL3MBTL1
SCHEMBL23626761 0.82 TSHR (0.34) ALDH1A1CYP2C19TSHRCYP1A2MAPT
SCHEMBL9890329 0.82 PDE4D (0.36) KDM4EALDH1A1CYP2C19TSHRL3MBTL1
SCHEMBL12925735 0.81 NPC1 (0.34) DRD4MAPTNPC1

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 KDM4E 990/4885FEN1 1792/4885CCNT1 427/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 KDM4E 990/4885FEN1 1792/4885CCNT1 427/4885

“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.