SCHEMBL19685950

SCHEMBL19685950

Cc1cc(=O)c2ccc(N3c4ccccc4C4(c5ccccc5Sc5ccccc54)c4ccccc43)cc2o1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
CYP1A1 P04798 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1B1 Q16678 2/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30
KCNA3 P22001 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
SCHEMBL19685956 0.91 ACHE (0.41) ACHECYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL19685900 0.88 ACHE (0.36) ACHECYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL19685788 0.86 ACHE (0.37) ACHECYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL19685894 0.85 ACHE (0.38) ACHECYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL17752252 0.85 PTGER4 (0.37) ACHEALDH1A1HPGDKDM4EHDAC6
SCHEMBL17752249 0.82 MAOA (0.42) ALDH1A1HPGDKDM4E
SCHEMBL19685951 0.82 ALDH1A1 (0.36) ACHECYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL19685952 0.80 ALDH1A1 (0.34) ACHECYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL19685678 0.80 KDM4E (0.35) ALDH1A1HPGDKDM4E
SCHEMBL18926130 0.80 PTGER4 (0.33) ALDH1A1HPGDKDM4E

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-10714693-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-14 US disclosed
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-12-07 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-10714693-B2 Polycyclic compound and organic electroluminescence device including the same CYC1, CCNA1, CYCS ACHE 3408/4885CYP1A1 102/4885CYP1A2 902/4885
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME CYC1, CCNA1, CYCS ACHE 3408/4885CYP1A1 102/4885CYP1A2 902/4885

“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.