SCHEMBL21788094

SCHEMBL21788094

COc1ccc(N(N)c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ACACA Q13085 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CASR P41180 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ FYN P06241 1/20 0.37

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
SCHEMBL21787743 0.95 MAOA (0.46) MAOAMAOBACACAKDM4EMEN1
SCHEMBL21787889 0.91 L3MBTL1 (0.45) MAOAMAOBACACAKDM4EKMT2A
SCHEMBL21787757 0.81 MAOA (0.39) MAOAMAOBACACAKDM4EMEN1
SCHEMBL21787995 0.80 MAOA (0.41) MAOAMAOBACACAKDM4EMEN1
SCHEMBL2093994 0.79 MAOA (0.51) MAOAMAOBACACAKDM4EMEN1
SCHEMBL12326181 0.77 MAOA (0.53) MAOAMAOBACACAKDM4EMEN1
SCHEMBL21787744 0.76 NPC1 (0.49) KDM4EALDH1A1ADORA1L3MBTL1NPC1
SCHEMBL21787990 0.76 NPC1 (0.49) KDM4EALDH1A1ADORA1L3MBTL1NPC1
SCHEMBL15372074 0.75 ALDH1A1 (0.50) MAOAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL8501330 0.75 L3MBTL1 (0.60) KDM4EALDH1A1KMT2AHSD17B10L3MBTL1

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 MAOA 172/4885MAOB 113/4885ACACA 3839/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 MAOA 45/4885MAOB 40/4885ACACA 3385/4885

“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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