SCHEMBL21787744

SCHEMBL21787744

COc1ccc(N(N)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA4 P22748 1/20 0.48
BACE1 P56817 2/20 0.47
ABL1 P00519 2/20 0.47
ABCB1 P08183 2/20 0.47
BCR P11274 2/20 0.47
LTA4H P09960 1/20 0.47
ESR2 Q92731 1/20 0.45
MITF O75030 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45

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
SCHEMBL21787990 1.00 NPC1 (0.49) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL7626558 0.90 CA4 (0.54) KDM4EALDH1A1TDP1CA4LTA4H
Hydrochloric Acid SCHEMBL10791254 0.88 CA4 (0.52) KDM4EALDH1A1TDP1CA4LTA4H
SCHEMBL21787829 0.88 ABL1 (0.49) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL17461082 0.85 CA1 (0.58) NPC1RAB9AKDM4EALDH1A1NPSR1
SCHEMBL8925560 0.84 CA4 (0.52) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL3442059 0.84 CA4 (0.52) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL16508421 0.84 CA4 (0.52) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2623446 0.84 CA4 (0.52) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL16344831 0.84 CA4 (0.52) NPC1RAB9AKDM4EALDH1A1LMNA

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 NPC1 2276/4885RAB9A 2267/4885KDM4E 3810/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 NPC1 684/4885RAB9A 3462/4885KDM4E 3294/4885

“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.