SCHEMBL21792641

SCHEMBL21792641

CC(C)(C)O/C=C1\C(=O)CC(c2ccccc2)CC1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 6/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ POLB P06746 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ LDHA P00338 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL21792393 0.77 MAP1LC3B (0.56) MAP1LC3BADORA2AMEN1KMT2AAKR1C2
SCHEMBL22111664 0.68 MAP1LC3B (0.47) MAP1LC3BMEN1KMT2AHPGDTSHR
SCHEMBL26526690 0.67 NPC1 (0.40) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL24379788 0.64 SLC18A3 (0.45) MAP1LC3BMEN1KMT2AALDH1A1HTT
SCHEMBL21821646 0.60 MAP1LC3B (0.62) MAP1LC3BMEN1KMT2APOLBAKR1C2
SCHEMBL21821885 0.60 MEN1 (0.57) MAP1LC3BMEN1KMT2AALDH1A1HTT
SCHEMBL21795161 0.60 MAP1LC3B (0.67) MAP1LC3BMEN1KMT2AALDH1A1HTT
SCHEMBL16581527 0.60 MAPT (0.57) MAP1LC3BMEN1KMT2AAKR1C1ALDH1A1
Tert-Butyl Formate SCHEMBL27488567 0.60 SLC18A3 (0.62) KMT2AHPGD
SCHEMBL20197630 0.60 GAA (0.68) MAP1LC3BMEN1KMT2AAKR1C1GAA

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-11021457-B2 Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2021-06-01 — — US disclosed
US-20200071291-A1 A CLASS OF ISOINDOLONE-IMIDE RING-1,3-DIONE-2-ENE COMPOUNDS, COMPOSITION AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-03-05 — — 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-20200071291-A1 A CLASS OF ISOINDOLONE-IMIDE RING-1,3-DIONE-2-ENE COMPOUNDS, COMPOSITION AND USE THEREOF ATG7, MLST8, BECN1 MAP1LC3B 17/4885ADORA2A 1739/4885MEN1 2613/4885
US-11021457-B2 Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof ATG7, MLST8, BECN1 MAP1LC3B 14/4885ADORA2A 2168/4885MEN1 2872/4885

“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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