SCHEMBL19685972

SCHEMBL19685972

Cc1cc(=O)c2cc(N3c4ccc(F)cc4C4(c5ccccc5Oc5ccccc54)c4cc(F)ccc43)ccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
TNKS O95271 2/20 0.37
GABRP O00591 9/20 0.34
GABRD O14764 9/20 0.34
GABRA1 P14867 9/20 0.34
GABRB1 P18505 9/20 0.34
GABRG2 P18507 9/20 0.34
GABRB3 P28472 9/20 0.34
GABRA5 P31644 9/20 0.34
GABRA3 P34903 9/20 0.34
GABRA2 P47869 9/20 0.34
GABRB2 P47870 9/20 0.34
GABRA4 P48169 9/20 0.34
GABRE P78334 9/20 0.34
GABRA6 Q16445 9/20 0.34
GABRG1 Q8N1C3 9/20 0.34
GABRG3 Q99928 9/20 0.34
GABRQ Q9UN88 9/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL19685692 0.93 MAOB (0.37) ACHETNKSGABRPGABRDGABRA1
SCHEMBL19685953 0.90 ACHE (0.40) ACHECYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL19685954 0.90 ACHE (0.43) ACHECYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL19685952 0.83 ALDH1A1 (0.34) ACHETNKSCYP1A1CYP1A2CYP1B1
SCHEMBL19685788 0.82 ACHE (0.37) ACHETNKSCYP1A1CYP1A2CYP1B1
SCHEMBL19686118 0.81 PTPN1 (0.35) NR3C2KDM4EMAOBALDH1A1APAF1
SCHEMBL19685955 0.81 ACHE (0.40) ACHECYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL19686064 0.80 ACHE (0.43) ACHEGABRPGABRDGABRA1GABRB1
SCHEMBL19685956 0.79 ACHE (0.41) ACHECYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL19685854 0.79 PGR (0.32) NR3C2KDM4EALDH1A1MAPT

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 3408/4885TNKS 2255/4885GABRP 4843/4885
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME CYC1, CCNA1, CYCS ACHE 3408/4885TNKS 2255/4885GABRP 4843/4885

“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.