SCHEMBL16680535

SCHEMBL16680535

COCCOc1c(F)cc(C=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
TNFRSF1A P19438 1/20 0.48
ALDH1A1 P00352 9/20 0.46
MAPK1 P28482 2/20 0.44
MAPT P10636 5/20 0.42
TUBB1 Q9H4B7 4/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.41
ALOX5 P09917 2/20 0.40
STAT3 P40763 2/20 0.40
NFE2L2 Q16236 2/20 0.40
PTGES O14684 1/20 0.40
PTGS1 P23219 1/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL7467304 0.89 FDPS (0.57) FDPSTNFRSF1AALDH1A1MAPK1MAPT
SCHEMBL18033266 0.87 FDPS (0.45) FDPSALDH1A1MAPK1MAPTTUBB1
SCHEMBL16372287 0.84 FDPS (0.43) FDPSTNFRSF1AALDH1A1MAPK1MAPT
SCHEMBL1766183 0.82 TUBB1 (0.50) FDPSALDH1A1MAPK1MAPTTUBB1
SCHEMBL29803132 0.82 TUBB1 (0.50) FDPSALDH1A1MAPK1MAPTTUBB1
SCHEMBL6943688 0.82 ALDH1A1 (0.64) FDPSTNFRSF1AALDH1A1MAPK1MAPT
SCHEMBL7959829 0.81 ALDH1A1 (0.40) FDPSTNFRSF1AALDH1A1MAPK1MAPT
SCHEMBL2810172 0.81 FDPS (0.45) FDPSTNFRSF1AALDH1A1MAPK1MAPT
SCHEMBL8378667 0.79 ALDH1A1 (0.43) FDPSTNFRSF1AALDH1A1MAPTTUBB1
SCHEMBL15968083 0.78 ALDH1A1 (0.43) FDPSALDH1A1MAPK1MAPTTUBB1

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
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
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 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-20150126492-A1 Complement Pathway Modulators and Uses Thereof CFB, CFH, TFPI FDPS 330/4885TNFRSF1A 496/4885ALDH1A1 2221/4885
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 FDPS 3206/4885TNFRSF1A 2074/4885ALDH1A1 3397/4885

“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.