SCHEMBL25744541

SCHEMBL25744541

CC(C)Cc1ccc2sc(-c3c(Cl)cccc3C(C)(C)O)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 4/20 0.35
▸ ALOX5AP P20292 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ ITGB1 P05556 1/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ PNMT P11086 1/20 0.31
▸ SLC16A3 O15427 1/20 0.30
▸ SLC16A1 P53985 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 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
SCHEMBL25744537 0.84 HDAC3 (0.42) NR1H4HDAC1HDAC3HDAC2HDAC6
SCHEMBL25744532 0.80 APP (0.44) HDAC1HDAC3HDAC2HDAC6SLC16A3
SCHEMBL25744542 0.80 NR1H4 (0.38) NR1H4ALOX5APHDAC1HDAC3HDAC2
SCHEMBL25744703 0.75 CYP4F2 (0.42) NR1H4
SCHEMBL17229285 0.70 GABRA1 (0.40) GABRA1GABRB2PNMTHTR2AHTR2C
SCHEMBL25235631 0.67 MGLL (0.49) —
SCHEMBL30503006 0.67 MGLL (0.49) —
SCHEMBL26352371 0.66 GABRA1 (0.36) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL8179976 0.66 GABRA1 (0.41) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL25744540 0.65 PNMT (0.32) PNMT

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 NR1H4 3865/4885ALOX5AP 2750/4885HDAC1 986/4885

“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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