SCHEMBL21992411

SCHEMBL21992411

COc1ccc(N(N)c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ BACE1 P56817 3/20 0.44
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ RPS6KA2 Q15349 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39

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
SCHEMBL30501493 0.83 ABL1 (0.47) ABL1ABCB1BCRBACE1MAPT
SCHEMBL16633166 0.83 ABL1 (0.47) ABL1ABCB1BCRBACE1MAPT
SCHEMBL21787996 0.83 ALDH1A1 (0.40) MAPTLMNAGAANPC1RAB9A
SCHEMBL6778392 0.82 CES1 (0.49) ABL1ABCB1BCRBACE1MAPT
SCHEMBL21992412 0.81 CYP2C19 (0.38) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL21787990 0.81 NPC1 (0.49) ABL1ABCB1BCRBACE1LMNA
SCHEMBL21787744 0.81 NPC1 (0.49) ABL1ABCB1BCRBACE1LMNA
SCHEMBL7626558 0.79 CA4 (0.54) CA4LTA4HALDH1A1HPGDKDM4E
SCHEMBL21787889 0.77 L3MBTL1 (0.45) ABL1ABCB1BCRBACE1HDAC4
Hydrochloric Acid SCHEMBL10791254 0.77 CA4 (0.52) CA4LTA4HALDH1A1HPGDKDM4E

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
EP-3650438-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-05-13 — — 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 (1 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 ABL1 851/4885ABCB1 370/4885BCR 2413/4885

“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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