SCHEMBL21788097

SCHEMBL21788097

NN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
MAPT P10636 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
KDM4E B2RXH2 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CRHBP P24387 1/20 0.46
ATM Q13315 1/20 0.46
CRHR2 Q13324 1/20 0.46
TLR9 Q9NR96 1/20 0.46
APP P05067 2/20 0.39
PSMD14 O00487 1/20 0.39
APAF1 O14727 1/20 0.39
USP2 O75604 1/20 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
SCHEMBL20670455 1.00 ALDH1A1 (0.64) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL21787892 0.91 ALDH1A1 (0.54) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL1792016 0.88 ALDH1A1 (0.46) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL193916 0.88 ALDH1A1 (0.46) ALDH1A1MAPTTDP1L3MBTL1KDM4E
Ammonia Solution, Strong SCHEMBL28873134 0.85 ALDH1A1 (0.43) ALDH1A1MAPTTDP1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL250009 0.85 ALDH1A1 (0.43) ALDH1A1MAPTTDP1L3MBTL1KDM4E
Ammonia Solution, Strong SCHEMBL28763213 0.85 ALDH1A1 (0.43) ALDH1A1MAPTTDP1L3MBTL1KDM4E
Water SCHEMBL8817645 0.85 ALDH1A1 (0.43) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL36869 0.85 ALDH1A1 (0.72) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL2389596 0.85 ALDH1A1 (0.72) ALDH1A1MAPTTDP1L3MBTL1KDM4E

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 4 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
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-03-05 US disclosed
CN-105103327-B Light-emitting element, compound, organic compound, display module, lighting module, light-emitting device, display device, lighting device, and electronic device 株式会社半导体能源研究所 2018-09-07 CN 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 ALDH1A1 2569/4885MAPT 2927/4885TDP1 2481/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 ALDH1A1 1964/4885MAPT 3034/4885TDP1 3909/4885

“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.