SCHEMBL22097005

SCHEMBL22097005

c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3c3ccc5c6cc7c8ccccc8c8ccccc8c7cc6oc5c34)nc3c2ccc2ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.35
CYP1A2 P05177 5/20 0.35
CYP1B1 Q16678 4/20 0.35
ALDH1A1 P00352 6/20 0.33
KMT2A Q03164 5/20 0.33
HPGD P15428 4/20 0.33
MEN1 O00255 3/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 8/20 0.32
TSHR P16473 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 3/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
MAPK1 P28482 2/20 0.32
PDE5A O76074 1/20 0.32
TP53 P04637 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 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
SCHEMBL22096959 0.98 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL22097155 0.93 ALDH1A1 (0.38) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL22249905 0.90 KMT2A (0.38) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL22096949 0.89 CYP1A1 (0.38) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL22249753 0.88 CYP1A2 (0.38) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL22097167 0.87 MEN1 (0.47) CYP1A2ALDH1A1KMT2AHPGDMEN1
SCHEMBL22097141 0.86 MEN1 (0.35) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL22097273 0.84 MEN1 (0.47) CYP1A2ALDH1A1KMT2AHPGDMEN1
SCHEMBL24628499 0.84 CYP1A1 (0.38) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL22097068 0.84 CYP1A1 (0.38) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A

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-11236075-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-02-01 US disclosed
US-20200190065-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-06-18 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-11236075-B2 Organic compound and organic electroluminescence device using the same ICMT, OR10J3, PIEZO1 CYP1A1 915/4885CYP1A2 1063/4885CYP1B1 1186/4885
US-20200190065-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ICMT, OR10J3, PIEZO1 CYP1A1 915/4885CYP1A2 1063/4885CYP1B1 1186/4885

“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.