SCHEMBL3228239

SCHEMBL3228239

CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.34
▸ PTGS2 P35354 2/20 0.32
▸ PGR P06401 1/20 0.30
▸ PRNP P04156 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ NR2E3 Q9Y5X4 1/20 0.30
▸ NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL4073945 0.90 PDK2 (0.36) PDK2
SCHEMBL14912402 0.87 CRHBP (0.39) PDK2PGR
SCHEMBL12560750 0.85 PTGS2 (0.37) PDK2PTGS2PGRPRNPPPARG
SCHEMBL3222953 0.82 PDK2 (0.44) PDK2PGR
SCHEMBL4071420 0.82 MAOB (0.38) —
SCHEMBL13855113 0.81 PTGS2 (0.35) PDK2PTGS2PGRPRNPPPARG
SCHEMBL3220300 0.81 CYP2A6 (0.39) PTGS2PRNPPPARGRXFP1NR2E3
SCHEMBL4570793 0.81 ALOX5 (0.46) PGR
SCHEMBL10034424 0.81 MCL1 (0.40) PDK2PPARG
SCHEMBL29793909 0.80 PDK2 (0.43) PDK2PTGS2PGR

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-20100039027-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2010-02-18 — — US disclosed
EP-2113954-A1 ORGANIC ELECTROLUMINESCENT DEVICE Idemitsu Kosan Co., Ltd. (JP) 2009-11-04 — — EP 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-20100039027-A1 ORGANIC ELECTROLUMINESCENCE DEVICE RUVBL2, KCNB2, KCNB1 PDK2 2554/4885PTGS2 4471/4885PGR 2371/4885

“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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