SCHEMBL21787889

SCHEMBL21787889

COc1ccc(N(N)c2ccc(OC)c(-c3ccccc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ BACE1 P56817 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ SYK P43405 3/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2E1 P05181 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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 0.92 MAOA (0.46) L3MBTL1KDM4EMAPK1RECQLMAOA
SCHEMBL21788094 0.91 MAOA (0.43) L3MBTL1KDM4EMAOAMAOBACACA
SCHEMBL21787744 0.81 NPC1 (0.49) L3MBTL1KDM4EBACE1ABL1ABCB1
SCHEMBL21787990 0.81 NPC1 (0.49) L3MBTL1KDM4EBACE1ABL1ABCB1
SCHEMBL21787829 0.80 ABL1 (0.49) L3MBTL1KDM4EBACE1HDAC4HDAC2
SCHEMBL835688 0.79 KDM4E (0.64) L3MBTL1KDM4EBACE1MAPK1RECQL
SCHEMBL29572032 0.79 KDM4E (0.64) L3MBTL1KDM4EBACE1MAPK1RECQL
SCHEMBL7626558 0.79 CA4 (0.54) KDM4EMAPK1CYP3A4KMT2A
SCHEMBL21787757 0.79 MAOA (0.39) L3MBTL1KDM4EMAPK1RECQLMAOA
SCHEMBL21787995 0.78 MAOA (0.41) L3MBTL1KDM4EMAPK1RECQLMAOA

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 L3MBTL1 4660/4885KDM4E 3810/4885BACE1 4324/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 L3MBTL1 4141/4885KDM4E 3294/4885BACE1 2314/4885

“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.

Send feedback