SCHEMBL22893702

SCHEMBL22893702

c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3ccccc34)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
TSHR P16473 4/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
FYN P06241 1/20 0.32
MAPK3 P27361 1/20 0.32
AHR P35869 1/20 0.32
PAX8 Q06710 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 8/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G4A P47712 1/20 0.32
LMNA P02545 5/20 0.32
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 3/20 0.32
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32

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
SCHEMBL22893701 0.93 MAPT (0.34) ALDH1A1TSHRHPGDCYP1A2CYP1A1
SCHEMBL22893700 0.93 ALDH1A1 (0.35) ALDH1A1TSHRHPGDCYP1A2CYP1A1
SCHEMBL22893869 0.93 SIRT2 (0.33) ALDH1A1TSHRHPGDL3MBTL1KDM4E
SCHEMBL22893807 0.92 ALDH1A1 (0.36) ALDH1A1TSHRHPGDCYP1A2CYP1A1
SCHEMBL22894004 0.90 TSHR (0.32) ALDH1A1TSHRHPGDCYP1A2CYP1A1
SCHEMBL22894005 0.88 ALDH1A1 (0.31) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL24152065 0.88 ALDH1A1 (0.38) ALDH1A1TSHRHPGDCYP1A2MAPT
SCHEMBL22893921 0.87 KDM4E (0.34) ALDH1A1TSHRHPGDCYP1A2CYP1A1
SCHEMBL22893864 0.87 KDM4E (0.35) ALDH1A1TSHRHPGDL3MBTL1MAPT
SCHEMBL22893718 0.86 AHR (0.34) ALDH1A1TSHRHPGDCYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 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 (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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ALDH1A1 9/4885TSHR 4037/4885HPGD 848/4885

“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.