SCHEMBL13408664

SCHEMBL13408664

CC(C)c1ccc2c3ccccc3p(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ AKR1B1 P15121 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MMP9 P14780 1/20 0.32
▸ ADRA2A P08913 2/20 0.31
▸ ADRA2B P18089 2/20 0.31
▸ ADRA2C P18825 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ AOC3 Q16853 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
SCHEMBL13443227 0.82 CYP2A6 (0.48) KIF11MEN1KMT2ACYP1A2TSHR
SCHEMBL13408669 0.82 KIF11 (0.41) KIF11AKR1B1
SCHEMBL13408668 0.79 KIF11 (0.40) UGT2B7KIF11AKR1B1CYP2A6GAA
SCHEMBL1102409 0.75 KIF11 (0.40) UGT2B7KIF11HIF1AGAA
SCHEMBL599956 0.71 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL9179436 0.71 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL30928206 0.71 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
Naphthalene SCHEMBL9636781 0.71 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
Naphthalene SCHEMBL29078859 0.71 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL29555341 0.71 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same GRACEL DISPLAY INC. (KR) 2010-04-22 — — 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-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same OCIAD1, OR10J3, ORMDL3 UGT2B7 2641/4885KIF11 2292/4885AKR1B1 2040/4885

“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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