SCHEMBL21787896

SCHEMBL21787896

CC1(C)c2ccccc2-c2ccc(N(N)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ MLNR O43193 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CHRM3 P20309 1/20 0.35

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
SCHEMBL12703005 0.94 PDK2 (0.43) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21763412 0.91 MEN1 (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21788107 0.90 PDK2 (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL24177579 0.89 PDK2 (0.40) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21416352 0.89 PDK2 (0.43) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL10038928 0.87 PDK2 (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL24751092 0.87 PDK2 (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL15183770 0.87 PDK2 (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL24177614 0.86 PDK2 (0.38) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL24177613 0.86 PDK2 (0.38) PDK2KDM4EMEN1LMNAKMT2A

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 PDK2 1160/4885KDM4E 3810/4885MEN1 2154/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 PDK2 1400/4885KDM4E 3294/4885MEN1 2274/4885

“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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