SCHEMBL12594529

SCHEMBL12594529

CC1(C)c2cc(C(=O)c3ccccc3)c3ccccc3c2-c2ccc3c4c(ccc3c21)-c1c(cc(C(=O)c2ccccc2)c2ccccc12)C4(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C8 P10632 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CNR2 P34972 1/20 0.39
▸ RXRA P19793 6/20 0.37
▸ RARA P10276 2/20 0.37
▸ RARB P10826 2/20 0.37
▸ RARG P13631 2/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35

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
SCHEMBL12594543 0.92 CNR2 (0.41) CYP2C8CYP2C9CNR2RARARARB
SCHEMBL2606549 0.88 PDK2 (0.43) CYP2C8CYP2C9CNR2RXRARARA
SCHEMBL353237 0.85 CYP2C8 (0.40) CYP2C8CYP2C9RXRARARARARB
SCHEMBL2606548 0.83 PDK2 (0.43) CYP2C8CYP2C9CNR2RXRARARA
SCHEMBL13493204 0.82 CYP2C8 (0.31) CYP2C8CYP2C9PDK2
SCHEMBL14365749 0.75 CYP2C8 (0.35) CYP2C8CYP2C9RXRARARARARB
SCHEMBL11914359 0.74 CNR2 (0.41) CYP2C8CYP2C9CNR2RXRARARA
SCHEMBL11914299 0.70 PDK2 (0.39) CYP2C8CYP2C9CNR2RXRARARA
SCHEMBL12594542 0.69 PDK2 (0.45) CYP2C8CYP2C9CNR2RXRARARA
SCHEMBL10010220 0.69 PDK2 (0.40) CNR2RXRARARBRARGPOLB

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 6 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
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 CYP2C8 1822/4885CYP2C9 160/4885CNR2 3164/4885

“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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