SCHEMBL21787756

SCHEMBL21787756

NN(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PDK2 Q15119 4/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ KIF11 P52732 1/20 0.33
▸ CFTR P13569 1/20 0.31
▸ GOPC Q9HD26 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL21787836 0.98 MEN1 (0.49) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21763101 0.95 MEN1 (0.46) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21788107 0.92 PDK2 (0.41) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21763102 0.91 MEN1 (0.42) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21763100 0.90 PDK2 (0.42) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21763412 0.90 MEN1 (0.41) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL15183772 0.87 MEN1 (0.46) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL16996413 0.87 MEN1 (0.46) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21787899 0.86 PDE4D (0.40) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21763099 0.86 PDK2 (0.41) MEN1KMT2ALMNAKDM4EMAPT

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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2022-01-06 — — US disclosed
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-03-05 — — 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 (2 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 MEN1 2154/4885KMT2A 1970/4885LMNA 2105/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 MEN1 2274/4885KMT2A 1499/4885LMNA 1182/4885

“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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