SCHEMBL21250873

SCHEMBL21250873

c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccncc6)c5)c5ccccc45)c3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.49
IMPDH2 P12268 2/20 0.48
NOTUM Q6P988 1/20 0.46
MKNK1 Q9BUB5 1/20 0.43
PRKCI P41743 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
IKBKE Q14164 1/20 0.40
PKMYT1 Q99640 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
MAPK13 O15264 1/20 0.39
GCGR P47871 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL10030025 0.90 PIK3CA (0.51) PIK3CAIMPDH2NOTUMMKNK1PRKCI
SCHEMBL21250855 0.88 NOTUM (0.48) PIK3CAIMPDH2NOTUMMKNK1PRKCI
SCHEMBL9613015 0.88 PIK3CA (0.51) PIK3CAIMPDH2NOTUMMKNK1PRKCI
SCHEMBL21250823 0.87 CYP11B1 (0.45) PIK3CAMKNK1ALDH1A1MEN1
SCHEMBL22956101 0.87 IMPDH2 (0.50) PIK3CAIMPDH2NOTUMMKNK1PRKCI
SCHEMBL21250832 0.86 NOTUM (0.50) PIK3CAIMPDH2NOTUMMKNK1PRKCI
SCHEMBL24662784 0.85 NOTUM (0.58) PIK3CAIMPDH2NOTUMMKNK1PRKCI
SCHEMBL19533220 0.85 NOTUM (0.58) PIK3CAIMPDH2NOTUMMKNK1PRKCI
SCHEMBL10030090 0.85 NOTUM (0.52) PIK3CAIMPDH2NOTUMMKNK1PRKCI
SCHEMBL13682563 0.85 NOTUM (0.62) PIK3CAIMPDH2NOTUMMKNK1PRKCI

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
EP-4234539-A1 ORGANIC MATERIAL FOR AN ELECTRONIC OPTOELECTRONIC DEVICE AND ELECTRONIC DEVICE COMPRISING THE ORGANIC MATERIAL Novaled GmbH (DE) 2023-08-30 EP disclosed
US-20210036230-A1 Organic Material for an Electronic Optoelectronic Device and Electronic Device Comprising the Organic Material NOVALED GMBH (DE) 2021-02-04 US disclosed
WO-2019154713-A1 ORGANIC MATERIAL FOR AN ELECTRONIC OPTOELECTRONIC DEVICE AND ELECTRONIC DEVICE COMPRISING THE ORGANIC MATERIAL NOVALED GMBH (DE) 2019-08-15 WO disclosed
EP-3524593-A1 ORGANIC MATERIAL FOR AN ELECTRONIC OPTOELECTRONIC DEVICE AND ELECTRONIC DEVICE COMPRISING THE ORGANIC MATERIAL Novaled GmbH (DE) 2019-08-14 EP 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-20210036230-A1 Organic Material for an Electronic Optoelectronic Device and Electronic Device Comprising the Organic Material OCIAD1, OCIAD2, OR10J3 PIK3CA 3360/4885IMPDH2 1257/4885NOTUM 1226/4885

“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.