SCHEMBL22787997

SCHEMBL22787997

c1ccc2c(c1)-c1ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)cc1C21C2CC3CC(C2)CC1C3

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CXCR3 P49682 1/20 0.32
AHR P35869 1/20 0.31

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
SCHEMBL25452287 1.00 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL22788055 0.97 ALDH1A1 (0.32) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL22787927 0.97 ALDH1A1 (0.32) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL25451246 0.96 ALDH1A1 (0.32) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL22780451 0.94 CXCR3 (0.33) ALDH1A1MAPTLMNACXCR3
SCHEMBL22788024 0.94 ALDH1A1 (0.31) ALDH1A1MAPTLMNA
SCHEMBL22780135 0.94 ALDH1A1 (0.32) ALDH1A1MAPTLMNACXCR3
SCHEMBL22779995 0.94 ALDH1A1 (0.31) ALDH1A1MAPTLMNA
SCHEMBL25452282 0.93 AHR (0.33) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL25451937 0.93 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EMEN1NPC1

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-10985324-B2 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2021-04-20 US disclosed
US-20200395544-A1 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2020-12-17 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 (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-20200395544-A1 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device NOS1, NOM1, NUDC ALDH1A1 1368/4885MAPT 1701/4885KDM4E 1571/4885
US-10985324-B2 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device NOS1, NOM1, NUDC ALDH1A1 1368/4885MAPT 1701/4885KDM4E 1571/4885

“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.