SCHEMBL20528985

SCHEMBL20528985

COc1cc(C=O)ncc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ TRIM24 O15164 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALDH5A1 P51649 1/20 0.49
▸ ABAT P80404 1/20 0.49
▸ TRIM33 Q9UPN9 1/20 0.49
▸ AOX1 Q06278 1/20 0.44
▸ ERN1 O75460 10/20 0.43
▸ APP P05067 1/20 0.41
▸ XDH P47989 1/20 0.40
▸ FDPS P14324 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL29209409 0.85 ALDH1A1 (0.49) ALDH1A1TDP1TRIM24HPGDALDH5A1
SCHEMBL1223854 0.82 ALDH1A1 (0.47) ALDH1A1TDP1TRIM24HPGDALDH5A1
SCHEMBL4152949 0.79 FDPS (0.40) ALDH1A1TDP1TRIM24HPGDALDH5A1
SCHEMBL28604786 0.78 ALDH1A1 (0.40) ALDH1A1TDP1HPGDERN1FDPS
SCHEMBL29954314 0.78 ALDH1A1 (0.40) ALDH1A1TDP1HPGDERN1FDPS
SCHEMBL1239709 0.78 PRKDC (0.47) ALDH1A1TDP1HPGDAOX1ERN1
SCHEMBL4144977 0.76 FDPS (0.41) ALDH1A1TDP1FDPSKDM4ETSHR
SCHEMBL6920190 0.76 ALDH1A1 (0.44) ALDH1A1HPGDERN1KDM4ETSHR
SCHEMBL10531340 0.76 KDM4E (0.38) TRIM24TRIM33ERN1KDM4ERAB9A
SCHEMBL4136393 0.76 FDPS (0.40) ALDH1A1TDP1TRIM24HPGDALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 — — EP disclosed
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 — — EP disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 — — US disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 — — US disclosed
EP-3606921-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. Inventiva (FR) 2020-02-12 — — EP disclosed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 — — CN disclosed
WO-2018185266-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2018-10-11 — — WO 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-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 ALDH1A1 3397/4885TDP1 2138/4885TRIM24 1513/4885

“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.

Send feedback