SCHEMBL25744532

SCHEMBL25744532

CC(C)(O)c1cccc(Cl)c1-c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ NQO1 P15559 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ SLC16A3 O15427 1/20 0.38
▸ SLC16A1 P53985 1/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ CASR P41180 2/20 0.37
▸ ACLY P53396 3/20 0.37
▸ CA2 P00918 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 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
SCHEMBL25744537 0.82 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL25744541 0.80 NR1H4 (0.35) SLC16A3SLC16A1HDAC3HDAC1HDAC2
SCHEMBL17367220 0.78 APP (0.46) APPHSD17B1HSD17B2NQO1NQO2
SCHEMBL25744523 0.78 HSD17B1 (0.47) APPHSD17B1HSD17B2SLC16A3SLC16A1
SCHEMBL25744544 0.75 CASR (0.45) APPHSD17B1HSD17B2CA1CA9
SCHEMBL25744547 0.75 CASR (0.42) APPHSD17B1HSD17B2CA1CA9
SCHEMBL25744534 0.75 APP (0.44) APPHSD17B1HSD17B2NQO1NQO2
SCHEMBL23743377 0.72 FABP3 (0.47) HSD17B1HSD17B2HDAC4HDAC2HDAC8
SCHEMBL24899509 0.72 SLC6A3 (0.45) APPCA1CA9CA12ACLY
SCHEMBL25744529 0.69 MAOB (0.39) CA1CA9CA12

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 APP 2899/4885HSD17B1 642/4885HSD17B2 1176/4885

“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.

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