SCHEMBL21763099

SCHEMBL21763099

NN(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.41
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ THRB P10828 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ PTBP1 P26599 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GALK1 P51570 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMAD3 P84022 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL21763102 0.93 MEN1 (0.42) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL21763100 0.92 PDK2 (0.42) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL21788107 0.90 PDK2 (0.41) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL21787756 0.86 MEN1 (0.47) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL21787751 0.85 PDK2 (0.39) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17886997 0.85 PDK2 (0.39) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL21763101 0.84 MEN1 (0.46) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL24646978 0.84 PDK2 (0.43) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL22425243 0.84 PDK2 (0.43) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17412444 0.84 PDK2 (0.43) PDK2MEN1LMNAMAPTKMT2A

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 3 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
EP-3369719-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 — — 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 (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 PDK2 1160/4885MEN1 2154/4885LMNA 2105/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 PDK2 1400/4885MEN1 2274/4885LMNA 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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