SCHEMBL12580372

SCHEMBL12580372

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccnc6ccccc56)cc4)n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.56
CYP1A2 P05177 1/20 0.51
ACVR1 Q04771 5/20 0.50
TGFBR1 P36897 2/20 0.50
MAPK14 Q16539 1/20 0.50
GRM4 Q14833 2/20 0.49
HTR2B P41595 1/20 0.49
MTNR1A P48039 1/20 0.49
KCNH2 Q12809 1/20 0.49
BMP4 P12644 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL12580422 1.00 PIK3CA (0.56) PIK3CACYP1A2ACVR1TGFBR1MAPK14
SCHEMBL12580413 0.98 PIK3CA (0.54) PIK3CACYP1A2ACVR1TGFBR1MAPK14
SCHEMBL12580359 0.98 PIK3CA (0.54) PIK3CACYP1A2ACVR1TGFBR1MAPK14
SCHEMBL21131938 0.97 PIK3CA (0.53) PIK3CACYP1A2ACVR1TGFBR1MAPK14
SCHEMBL21131950 0.95 TGFBR1 (0.52) PIK3CACYP1A2ACVR1TGFBR1MAPK14
SCHEMBL17343305 0.94 PIK3CA (0.55) PIK3CACYP1A2ACVR1TGFBR1MAPK14
SCHEMBL21131884 0.94 CYP1A2 (0.53) PIK3CACYP1A2ACVR1TGFBR1MAPK14
SCHEMBL17945617 0.92 CYP1A2 (0.57) PIK3CACYP1A2ACVR1TGFBR1MAPK14
SCHEMBL19166516 0.91 PIK3CA (0.59) PIK3CACYP1A2ACVR1TGFBR1MAPK14
SCHEMBL12074333 0.91 PIK3CA (0.65) PIK3CACYP1A2ACVR1TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220416171-A1 ORGANIC ELECTROLUMINESCENT DEVICE CONFIGURED TO EMIT LIGHT WITH HIGH LUMINOUS EFFICIENCY IDEMITSU KOSAN CO.,LTD. (JP) 2022-12-29 US disclosed
US-20220173334-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2022-06-02 US disclosed
US-20220165964-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2022-05-26 US disclosed
US-20210296591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE USING THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2021-09-23 US disclosed
WO-2020209299-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE COMPRISING SAME 出光興産株式会社 2020-10-15 WO disclosed
WO-2020115933-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME 出光興産株式会社 2020-06-11 WO disclosed
US-20190280211-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2019-09-12 US disclosed
US-9012039-B2 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2015-04-21 US disclosed
US-9012039-B2 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2015-04-21 US disclosed
US-20110156013-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-06-30 US disclosed
US-20110156013-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-06-30 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-20220165964-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME LEF1, OR10J3, RER1 PIK3CA 4486/4885CYP1A2 515/4885ACVR1 2689/4885
US-20110156013-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME PPOX, PIEZO1, FTO PIK3CA 383/4885CYP1A2 48/4885ACVR1 2352/4885
US-20190280211-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE ALDH1A2, AOX1, AOC3 PIK3CA 2993/4885CYP1A2 32/4885ACVR1 2028/4885
US-20210296591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE USING THE SAME OLA1, AOC1, ODC1 PIK3CA 4096/4885CYP1A2 250/4885ACVR1 847/4885

“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.