SCHEMBL3200445

SCHEMBL3200445

COCOc1ccc(C=O)c(OCOC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HDAC8 Q9BY41 2/20 0.44
MAOB P27338 2/20 0.43
TUBB1 Q9H4B7 1/20 0.42
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
BACE1 P56817 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ERN1 O75460 2/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL3905573 0.92 ALDH1A1 (0.69) ALDH1A1MAOBTUBB1TRIM24TYR
SCHEMBL3209556 0.92 ALDH1A1 (0.69) ALDH1A1HDAC8MAOBTRIM24TYR
SCHEMBL15189007 0.89 ALDH1A1 (0.49) ALDH1A1HDAC8MAOBTUBB1L3MBTL1
SCHEMBL3211256 0.87 ALDH1A1 (0.46) ALDH1A1HDAC8MAOBTUBB1TRIM24
SCHEMBL19640030 0.87 MAOB (0.48) ALDH1A1HDAC8MAOBTUBB1TRIM24
SCHEMBL16705703 0.86 TUBB1 (0.52) ALDH1A1HDAC8TUBB1TRIM24TYR
SCHEMBL4998794 0.86 ALDH1A1 (0.49) ALDH1A1HDAC8MAOBTUBB1TRIM24
SCHEMBL1445747 0.85 MAOB (0.50) ALDH1A1HDAC8MAOBTUBB1ERN1
SCHEMBL22090594 0.85 HDAC8 (0.53) ALDH1A1HDAC8TUBB1TRIM24TYR
SCHEMBL1963431 0.85 HDAC8 (0.52) ALDH1A1HDAC8MAOBTUBB1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4698520-A1 RAF-MEK PROTEIN COMPLEX MODULATORS AND METHODS OF USE THEREOF Gandeeva Therapeutics, Inc. (US) 2026-02-25 EP disclosed
WO-2024220708-A1 RAF-MEK PROTEIN COMPLEX MODULATORS AND METHODS OF USE THEREOF GANDEEVA THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
CN-110483258-B Diaryl derivative compound and skin whitening composition containing the same 株式会社爱茉莉太平洋 2024-04-12 CN disclosed
CN-111184866-B Combination treatment of bacterial infections 香港中文大学 2023-12-19 CN disclosed
US-11690810-B2 Combination treatment of bacterial infection THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-07-04 US disclosed
US-20200155641-A1 COMBINATION TREATMENT OF BACTERIAL INFECTION THE CHINESE UNIVERSITY OF HONG KONG (CN) 2020-05-21 US disclosed
EP-2516414-B1 HETEROAROMATIC COMPOUND, OPTICAL MATERIAL AND OPTICAL ELEMENT CANON KK (JP) 2017-08-02 EP disclosed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
US-20140315956-A1 SMALL MOLECULE INHIBITORS OF IL-6 AND USES THEREOF NATIONWIDE CHILDREN'S HOSPITAL (US) 2014-10-23 US disclosed
US-20140315956-A1 SMALL MOLECULE INHIBITORS OF IL-6 AND USES THEREOF NATIONWIDE CHILDREN'S HOSPITAL (US) 2014-10-23 US disclosed
US-20140315956-A1 SMALL MOLECULE INHIBITORS OF IL-6 AND USES THEREOF NATIONWIDE CHILDREN'S HOSPITAL (US) 2014-10-23 US disclosed
US-8609869-B2 Heteroaromatic-containing compound, optical material and optical element CANON KABUSHIKI KAISHA (JP) 2013-12-17 US disclosed
WO-2013019690-A1 SMALL MOLECULE INHIBITORS OF IL-6 AND USES THEREOF THE OHIO STATE UNIVERSITY (US) 2013-02-07 WO disclosed
US-20120203012-A1 HETEROAROMATIC-CONTAINING COMPOUND, OPTICAL MATERIAL AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2012-08-09 US disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP 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 (5 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-20200155641-A1 COMBINATION TREATMENT OF BACTERIAL INFECTION PGC, NRDC, PYCARD ALDH1A1 3345/4885HDAC8 241/4885MAOB 1068/4885
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ALDH1A1 253/4885HDAC8 796/4885MAOB 969/4885
US-20140315956-A1 SMALL MOLECULE INHIBITORS OF IL-6 AND USES THEREOF IL6, STAT3, JAK2 ALDH1A1 1300/4885HDAC8 862/4885MAOB 2115/4885
US-20120203012-A1 HETEROAROMATIC-CONTAINING COMPOUND, OPTICAL MATERIAL AND OPTICAL ELEMENT AR, AHR, ARNT ALDH1A1 304/4885HDAC8 1941/4885MAOB 1327/4885
US-11690810-B2 Combination treatment of bacterial infection PGC, NRDC, PYCARD ALDH1A1 3345/4885HDAC8 241/4885MAOB 1068/4885

“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.