SCHEMBL13028740

SCHEMBL13028740

CC(C)(C)C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ POLB P06746 1/20 0.51
▸ FEN1 P39748 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ JAK2 O60674 1/20 0.39

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
SCHEMBL13727019 0.88 TYK2 (0.47) ALDH1A1POLBFEN1RAB9AGAA
SCHEMBL13543212 0.86 GAA (0.54) ALDH1A1POLBRAB9AGAAMAPT
SCHEMBL18671762 0.83 TYK2 (0.51) ALDH1A1POLBMAPTNPSR1MEN1
SCHEMBL16981796 0.82 ALDH1A1 (0.46) ALDH1A1POLBFEN1RAB9AGAA
SCHEMBL16981797 0.82 POLB (0.42) ALDH1A1POLBRAB9AGAAMAPT
SCHEMBL16981800 0.80 TAS1R3 (0.42) ALDH1A1POLB
SCHEMBL16981787 0.78 RORC (0.43) ALDH1A1POLB
SCHEMBL16981801 0.78 TAS1R3 (0.43) ALDH1A1POLBHPGDNPC1GLA
SCHEMBL10001176 0.77 TSHR (0.59) ALDH1A1POLBFEN1MEN1MAPK1
SCHEMBL27614437 0.77 ALDH1A1 (0.44) ALDH1A1POLBFEN1RAB9AGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 — — US disclosed
US-20100286092-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL, LTD. (BM) 2010-11-11 — — US disclosed
US-20100120715-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-05-13 — — US disclosed
US-20100120715-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-05-13 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 — — 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 (4 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 ALDH1A1 3246/4885POLB 423/4885FEN1 513/4885
US-20100120715-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB ALDH1A1 430/4885POLB 293/4885FEN1 1011/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B ALDH1A1 1156/4885POLB 2138/4885FEN1 4275/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB ALDH1A1 430/4885POLB 293/4885FEN1 1011/4885

“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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