SCHEMBL9890312

SCHEMBL9890312

c1cc(-n2c3cnccc3c3ncccc32)c2oc3cc4c(cc3c2c1)oc1c(-n2c3cnccc3c3ncccc32)cccc14

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.33
TGFBR1 P36897 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
PDE4D Q08499 1/20 0.31
ROCK2 O75116 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL9890309 0.91 MAOA (0.32) PDE4DCYP1A2CYP3A4GAAHPGD
SCHEMBL9890306 0.89 CYP1A2 (0.36) PDE4DCYP1A2CYP3A4GAAHPGD
SCHEMBL9890316 0.89 PDPK1 (0.33) PDPK1TGFBR1IKBKETBK1ROCK2
SCHEMBL9890319 0.88 IDO1 (0.34) PDPK1TGFBR1IKBKETBK1ROCK2
SCHEMBL9890329 0.87 PDE4D (0.36) PDE4DCYP1A2CYP3A4GAAHPGD
SCHEMBL9890321 0.84 PDPK1 (0.34) PDPK1TGFBR1IKBKETBK1ROCK2
SCHEMBL9890323 0.84 MAOA (0.36) PDPK1TGFBR1IKBKETBK1ROCK2
SCHEMBL9890308 0.83 PDE4D (0.33) PDE4DCYP1A2CYP3A4GAAHPGD
SCHEMBL9890327 0.81 MAOA (0.36) ROCK2
SCHEMBL9890311 0.80 MAOA (0.43)

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 PDPK1 1440/4885TGFBR1 3043/4885IKBKE 3016/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 PDPK1 1440/4885TGFBR1 3043/4885IKBKE 3016/4885

“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.