SCHEMBL21361177

SCHEMBL21361177

C=CCCCN(CC)c1ccccc1N

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 2/20 0.31
PSMD14 O00487 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
S100B P04271 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL22431682 0.95 TLR8 (0.35) TLR8ALDH1A1KMT2ATDP1TSHR
SCHEMBL25453791 0.82 CYP1A2 (0.42) ALDH1A1KMT2ATDP1TSHRPSMD14
SCHEMBL20307192 0.79 ALDH1A1 (0.36) ALDH1A1KMT2ATDP1KDM4EHPGD
SCHEMBL24596288 0.78 ALDH1A1 (0.35) ALDH1A1KMT2AKDM4EHPGD
SCHEMBL28888928 0.78 TSHR (0.33) TLR8ALDH1A1KMT2ATDP1TSHR
SCHEMBL50190 0.77 ALDH1A1 (0.43) ALDH1A1TDP1TSHRPSMD14CYP3A4
SCHEMBL17714489 0.77 CYP1A2 (0.36) TLR8ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23368480 0.76 ALDH1A1 (0.36) ALDH1A1TDP1TSHRPSMD14CYP3A4
Hydrochloric Acid SCHEMBL6480110 0.75 ALDH1A1 (0.41) ALDH1A1TDP1TSHRPSMD14CYP3A4
Hydrochloric Acid SCHEMBL6639005 0.75 ALDH1A1 (0.41) ALDH1A1TDP1TSHRPSMD14CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793066-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-10-17 US disclosed
US-20230309389-A1 CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-28 US disclosed
US-20230292593-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-14 US disclosed
US-20210217969-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-07-15 US disclosed
US-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 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 (4 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-20230309389-A1 CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT EMITTING DEVICE CRY1, OCIAD1, ORC3 TLR8 4270/4885ALDH1A1 170/4885KMT2A 2492/4885
US-20210217969-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBPL8, ODC1, SORD TLR8 927/4885ALDH1A1 168/4885KMT2A 4068/4885
US-10418569-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OSBP2 TLR8 2297/4885ALDH1A1 1620/4885KMT2A 3749/4885
US-11793066-B2 Organic electroluminescent materials and devices EPCAM, ICMT, ORAI2 TLR8 4216/4885ALDH1A1 3195/4885KMT2A 3126/4885

“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.