SCHEMBL21740804

SCHEMBL21740804

COc1cc(N2CCN(C(=O)C(C)C)CC2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PDK2 Q15119 1/20 0.49
FGFR1 P11362 1/20 0.47
TYR P14679 1/20 0.45
NAMPT P43490 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL21740808 0.89 MAPT (0.47) ACHEMAPTKDM4EMEN1NPC1
SCHEMBL1911866 0.86 PDK2 (0.46) MAPTMEN1ALDH1A1KMT2APDK2
SCHEMBL12312306 0.85 NPSR1 (0.46) MAPTALDH1A1PDK2NAMPTNPSR1
SCHEMBL13417644 0.85 CCR1 (0.57) MAPTALDH1A1NPSR1LMNA
SCHEMBL4281721 0.85 QDPR (0.59) ACHEMAPTKDM4EMEN1NPC1
SCHEMBL14747867 0.84 CCR1 (0.45) MAPTKDM4EMEN1NPC1KMT2A
SCHEMBL1911915 0.83 PDK2 (0.44) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL12312123 0.81 SIRT6 (0.67) MAPTKDM4EMEN1ALDH1A1MAPK1
SCHEMBL19002647 0.81 ACHE (0.52) ACHEMAPTKDM4EMEN1NPC1
SCHEMBL19002642 0.81 ACHE (0.52) ACHEMAPTKDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ACHE 4843/4885MAPT 4169/4885KDM4E 4215/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ACHE 4843/4885MAPT 4169/4885KDM4E 4215/4885

“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.