SCHEMBL13557650

SCHEMBL13557650

CC1(C)c2ccc(-c3ccc4c(c3)N(c3ccccc3)c3ccc(-c5ccccc5)cc3C4(C)C)cc2N(c2ccccc2)c2ccc(-c3ccccc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PGR P06401 4/20 0.35
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ TDP2 O95551 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ AVPR1A P37288 1/20 0.31
▸ TYMS P04818 1/20 0.31

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
SCHEMBL12723302 0.94 FAAH (0.37) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL13827545 0.94 FAAH (0.39) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL13557555 0.94 FAAH (0.39) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL22509200 0.94 FAAH (0.39) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL14803135 0.91 APP (0.30) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL16411162 0.91 PGR (0.40) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL15469328 0.91 FAAH (0.42) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL13557633 0.91 FAAH (0.42) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL15464027 0.91 FAAH (0.42) FAAHMGLLALDH1A1HSP90AA1PKM
SCHEMBL13557634 0.91 FAAH (0.42) FAAHMGLLALDH1A1HSP90AA1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 — — US disclosed
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 — — 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-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDC, ODC1, TYR FAAH 2935/4885MGLL 4574/4885ALDH1A1 61/4885

“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.

Send feedback