SCHEMBL24177663

SCHEMBL24177663

COc1ccc(N(N)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PDK2 Q15119 6/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL21787835 0.88 PGR (0.42) GAARAB9APDK2SMN1; SMN2MAPT
SCHEMBL21787995 0.87 MAOA (0.41) GAARAB9ANPSR1PDK2KDM4E
SCHEMBL12703005 0.87 PDK2 (0.43) PDK2KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL21416352 0.83 PDK2 (0.43) PDK2PGR
SCHEMBL24177579 0.83 PDK2 (0.40) PDK2KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL21787896 0.81 PDK2 (0.39) PDK2KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL24177613 0.80 PDK2 (0.38) RAB9ANPSR1PDK2KDM4EALDH1A1
SCHEMBL24177614 0.80 PDK2 (0.38) PDK2KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL24178014 0.79 PDK2 (0.38) PDK2MEN1KMT2A
SCHEMBL21787751 0.79 PDK2 (0.39) RAB9ANPSR1PDK2SMN1; SMN2LMNA

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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2022-01-06 — — 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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS NR0B2, KCNJ2, TRRAP GAA 4382/4885RAB9A 2267/4885NPSR1 422/4885

“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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