SCHEMBL12014584

SCHEMBL12014584

c1ccc(-c2ccc3c(-c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4)c4ccccc4c(-c4ccncc4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
IMPDH2 P12268 1/20 0.46
MKNK1 Q9BUB5 1/20 0.42
CYP11B1 P15538 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
NOTUM Q6P988 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TNF P01375 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 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
SCHEMBL12014544 1.00 PIK3CA (0.47) PIK3CAMAPTKDM4EALDH1A1HPGD
SCHEMBL12014541 0.94 PIK3CA (0.41) PIK3CAMAPTKDM4EALDH1A1HPGD
SCHEMBL12014564 0.93 ALDH1A1 (0.45) PIK3CAMAPTKDM4EALDH1A1HPGD
SCHEMBL12014580 0.92 ALDH1A1 (0.46) MAPTKDM4EALDH1A1HPGDIMPDH2
SCHEMBL12014567 0.87 PLG (0.37) PIK3CAMAPTKDM4EALDH1A1HPGD
SCHEMBL12014533 0.87 PLG (0.37) PIK3CAMAPTKDM4EALDH1A1HPGD
SCHEMBL12014520 0.87 PIK3CA (0.41) PIK3CAMAPTKDM4EALDH1A1HPGD
SCHEMBL15977839 0.86 CYP11B1 (0.47) PIK3CAMAPTKDM4EALDH1A1HPGD
SCHEMBL12014524 0.86 HSD17B1 (0.47) PIK3CAIMPDH2MKNK1CYP11B1HSD17B1
SCHEMBL12014546 0.86 CYP1A1 (0.38) PIK3CAMAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
WO-2011054442-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-12 WO 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-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, DDT, ERCC1 PIK3CA 4014/4885MAPT 1295/4885KDM4E 3591/4885

“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.