SCHEMBL12644596

SCHEMBL12644596

CC(C)(C)c1ccc(Nc2ccc3c(c2)C3(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.41
▸ KIF11 P52732 2/20 0.37
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C2 P52895 2/20 0.36
▸ CSNK1D P48730 2/20 0.35
▸ CSNK1G2 P78368 2/20 0.35
▸ FGFR2 P21802 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ GSK3B P49841 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
SCHEMBL20279810 0.88 PDK2 (0.41) OPRD1KIF11AKR1C3AKR1C2CSNK1D
SCHEMBL20683942 0.82 CDK2 (0.34) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL29366406 0.81 CYP26A1 (0.47) OPRD1KIF11AKR1C3AKR1C2FGFR2
SCHEMBL23116372 0.81 CYP26A1 (0.47) OPRD1KIF11AKR1C3AKR1C2FGFR2
SCHEMBL30056023 0.81 PDK2 (0.43) OPRD1KIF11MEN1NPC1RAB9A
SCHEMBL14681502 0.81 PDK2 (0.43) OPRD1KIF11MEN1NPC1RAB9A
SCHEMBL30935419 0.81 PDK2 (0.49) OPRD1KIF11MEN1NPC1RAB9A
SCHEMBL16596687 0.81 PDK2 (0.49) OPRD1KIF11MEN1NPC1RAB9A
SCHEMBL29853707 0.81 PDK2 (0.49) OPRD1KIF11MEN1NPC1RAB9A
SCHEMBL29144551 0.80 OPRD1 (0.43) OPRD1KIF11AKR1C3AKR1C2CSNK1D

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-20110156018-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-30 — — 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-20110156018-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME CCNL2, ARL1, RIF1 OPRD1 208/4885KIF11 3142/4885AKR1C3 634/4885

“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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