SCHEMBL12594543

SCHEMBL12594543

CC1(C)c2cc(C(=O)c3cccc(-c4ccccc4)c3)c3ccccc3c2-c2ccc3c4c(ccc3c21)-c1c(cc(C(=O)c2cccc(-c3ccccc3)c2)c2ccccc12)C4(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.41
▸ CNR1 P21554 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ CYP2C8 P10632 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TDP2 O95551 2/20 0.36
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ PDK2 Q15119 2/20 0.35
▸ CDC25B P30305 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ERCC5 P28715 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
SCHEMBL12594529 0.92 CYP2C8 (0.43) CNR2CYP2C8CYP2C9RARARARB
SCHEMBL2606549 0.82 PDK2 (0.43) CNR2CNR1ALDH1A1HPGDHTT
SCHEMBL13493208 0.80 — —
SCHEMBL2606548 0.78 PDK2 (0.43) CNR2ALDH1A1HPGDCYP2C8CYP2C9
SCHEMBL353237 0.77 CYP2C8 (0.40) ALDH1A1CYP2C8CYP2C9RARARARB
SCHEMBL13493204 0.75 CYP2C8 (0.31) CYP2C8CYP2C9PDK2
SCHEMBL11914359 0.74 CNR2 (0.41) CNR2CNR1CYP2C8CYP2C9RARA
SCHEMBL11914299 0.71 PDK2 (0.39) CNR2CNR1CYP2C8CYP2C9RARA
SCHEMBL13150088 0.70 CNR2 (0.36) CNR2CNR1NPSR1RARARARB
SCHEMBL23743365 0.68 CA12 (0.32) CYP2C9RARARARBRARGPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150228905-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-08-13 — — US disclosed
US-20150228905-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-08-13 — — US disclosed
US-9051233-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2015-06-09 — — US disclosed
US-9051233-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2015-06-09 — — US disclosed
US-20110114889-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-19 — — 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-20110114889-A1 COMPOUNDS FOR ELECTRONIC DEVICES ETV6, EED, EML4 CNR2 3164/4885CNR1 2725/4885ALDH1A1 43/4885

“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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