SCHEMBL12368341

SCHEMBL12368341

c1ccc(-c2cc(N(c3cccnc3)c3cccnc3)c3ccc4c(-c5ccccc5)cc(N(c5cccnc5)c5cccnc5)c5ccc2c3c45)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.41
KCNA5 P22460 2/20 0.37
CYP19A1 P11511 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TNF P01375 2/20 0.36
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CYP11B2 P19099 3/20 0.35
KCNH2 Q12809 1/20 0.35
RPS6KA3 P51812 1/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL15042298 0.91 CYP11B1 (0.48) CYP11B1KCNA5CYP19A1ALDH1A1KDM4E
SCHEMBL12368348 0.89 ALDH1A1 (0.35) CYP11B1PTGDR2ALDH1A1MAPTKDM4E
SCHEMBL18382439 0.86 KCNA5 (0.41) CYP11B1KCNA5CYP19A1PTGDR2KDM4E
SCHEMBL12011512 0.85 BACE1 (0.34) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL15042299 0.85 BACE1 (0.34) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL15042283 0.84 IMPDH2 (0.39) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL15042343 0.82 IMPDH2 (0.33) ALDH1A1NPC1MAPTKDM4ELMNA
SCHEMBL12700367 0.80 KDM4E (0.33) PTGDR2ALDH1A1MAPTKDM4EHPGD
SCHEMBL18382339 0.79 CYP11B1 (0.39) CYP11B1KCNA5CYP19A1PTGDR2TNF
SCHEMBL23085054 0.79 CYP11B1 (0.39) CYP11B1KCNA5PTGDR2TNFALDH1A1

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
US-8512878-B2 Diaminopyrene derivative and organic EL device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-08-20 US disclosed
US-8512878-B2 Diaminopyrene derivative and organic EL device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-08-20 US disclosed
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-08-11 US disclosed
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-08-11 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 (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-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME ELP1, EED, ESR1 CYP11B1 3687/4885KCNA5 1615/4885CYP19A1 1911/4885

“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.