SCHEMBL21496548

SCHEMBL21496548

Cc1c(C(=O)O)ccc2c1OC(C)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HAAO P46952 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL23142462 0.91 PTGS2 (0.35) MAPK1TDP1PTGS1PTGS2ALDH1A1
Dimethylformamide SCHEMBL25263371 0.90 ALDH1A1 (0.32) MAPK1ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL27829365 0.85 PARP1 (0.41) TDP1MAPTALDH1A1KDM4E
SCHEMBL6182009 0.81 MAPK1 (0.35) MAPK1CYP1A2TDP1MAPTTSHR
SCHEMBL23142463 0.75
SCHEMBL13060339 0.73 ALDH1A1 (0.36) MAPK1TDP1MAPTTSHRALDH1A1
SCHEMBL3761317 0.71 PRKAB2 (0.43) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8595403 0.71 PRKAB2 (0.43) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2427291 0.70 ALDH1A1 (0.44) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2427488 0.70 KDM4E (0.55) PTGS1PTGS2ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4740948-A1 PHARMACEUTICAL COMPOSITION COMPRISING 1,3-BENZODIOXOLE DERIVATIVE COMPOUND Dong Wha Pharm. Co., Ltd. (KR) 2026-05-13 EP disclosed
US-20250059180-A1 1,3-BENZODIOXOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME DONG WHA PHARM. CO., LTD. (KR) 2025-02-20 US disclosed
WO-2025008783-A1 PHARMACEUTICAL COMPOSITION COMPRISING 1,3-BENZODIOXOLE DERIVATIVE COMPOUND 동화약품주식회사 2025-01-09 WO disclosed
EP-4464701-A1 1,3-BENZODIOXOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Dong Wha Pharm. Co., Ltd. (KR) 2024-11-20 EP disclosed
US-11919912-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2024-03-05 US disclosed
WO-2023135564-A1 1,3-BENZODIOXOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2023-07-20 WO disclosed
EP-3797108-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2021-03-31 EP disclosed
EP-3781561-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2021-02-24 EP disclosed
CN-111989325-A Modulators of methyl-modified enzymes, compositions and uses thereof 星座制药公司 2020-11-24 CN disclosed
WO-2019204490-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2019-10-24 WO disclosed
CN-106132954-B 1,3- benzodioxole derivative 第三共株式会社 2019-01-08 CN disclosed
CN-106132954-A 1,3 benzodioxole derivant 第三共株式会社 2016-11-16 CN 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-20250059180-A1 1,3-BENZODIOXOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CYP2C9, CYP1B1, SULT1A1 MAPK1 1664/4885CYP1A2 29/4885TDP1 1681/4885
US-11919912-B2 Modulators of methyl modifying enzymes, compositions and uses thereof TPMT, TET1, MAT1A MAPK1 2606/4885CYP1A2 158/4885TDP1 280/4885

“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.