SCHEMBL25744544

SCHEMBL25744544

CC(C)(O)c1ccc(Cl)cc1-c1cc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.45
▸ APP P05067 2/20 0.41
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ PRKDC P78527 1/20 0.38
▸ ERN1 O75460 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ ACLY P53396 5/20 0.37
▸ BCL2L1 Q07817 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35

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
SCHEMBL25744547 0.89 CASR (0.42) CASRAPPHSD17B1HSD17B2ERN1
SCHEMBL17367220 0.84 APP (0.46) CASRAPPHSD17B1HSD17B2ERN1
SCHEMBL25744523 0.75 HSD17B1 (0.47) CASRAPPHSD17B1HSD17B2PRKDC
SCHEMBL25744532 0.75 APP (0.44) CASRAPPHSD17B1HSD17B2ERN1
SCHEMBL25744545 0.75 ACLY (0.45) APPPRKDCERN1CA12CA1
SCHEMBL25744548 0.73 ACLY (0.42) APPHSD17B1HSD17B2PRKDCERN1
SCHEMBL17126828 0.72 PARP14 (0.45) CASRPRKDC
SCHEMBL21870995 0.72 APP (0.50) APPHSD17B1HSD17B2PRKDCERN1
SCHEMBL20175216 0.72 PIK3R1 (0.47) APPHSD17B1HSD17B2PRKDCERN1
SCHEMBL2150858 0.70 APP (0.50) APPHSD17B1HSD17B2ERN1CA1

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-20230200208-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 — — US disclosed
US-20230200208-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 — — 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-20230200208-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME CRY1, PPOX, ODC1 CASR 4853/4885APP 2899/4885HSD17B1 642/4885

“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.

Send feedback