SCHEMBL13556840

SCHEMBL13556840

c1ccc2c(c1)cc(-n1c3cccnc3c3c4ccccc4c4c(c5ccccc5c5c6ncccc6n(-c6cc7ccccc7c7ccccc67)c54)c31)c1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CCR1 P32246 5/20 0.36
▸ CCR8 P51685 5/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ CCR5 P51681 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GMNN O75496 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MMP2 P08253 1/20 0.33

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
SCHEMBL16546953 0.84 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19CYP2C9CCR1
SCHEMBL13556839 0.83 CYP3A4 (0.41) ALDH1A1CYP1A2CYP2C19CCR1CCR8
SCHEMBL14329607 0.82 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2C19CYP2C9CCR1
SCHEMBL2627494 0.81 CYP1A2 (0.42) ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1
SCHEMBL15336219 0.80 ACHE (0.33) ALDH1A1CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL13556832 0.80 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19CCR1CCR8
SCHEMBL13556850 0.79 ADORA3 (0.33) ALDH1A1CCR1CCR8L3MBTL1LMNA
SCHEMBL14330491 0.79 CYP1A2 (0.44) ALDH1A1CYP1A2CYP2C19CYP2C9CCR1
SCHEMBL15336091 0.79 ACHE (0.32) ALDH1A1CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL13556844 0.78 CYP1A2 (0.40) ALDH1A1CYP1A2CYP2C19CCR1CCR8

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-8889270-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2014-11-18 — — US disclosed
US-8889270-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2014-11-18 — — US disclosed
US-20120267613-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2012-10-25 — — US disclosed
US-20120267613-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2012-10-25 — — 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-20120267613-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CYP1A1, CRY2 ALDH1A1 6/4885CYP1A2 10/4885CYP2C19 42/4885

“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.

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