SCHEMBL21776343

SCHEMBL21776343

CC(C)c1cc(CN2CCCC2)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.49
HRH3 Q9Y5N1 2/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.46
CHKA P35790 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
MAPT P10636 1/20 0.44
NCF1 P14598 1/20 0.44
PRMT6 Q96LA8 1/20 0.42

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
SCHEMBL19542004 0.86 MAPT (0.62) ALDH1A1HTTSMN1; SMN2HRH3MAPT
SCHEMBL21400956 0.82 HRH3 (0.50) ALDH1A1HTTSMN1; SMN2HRH3KDM4E
SCHEMBL15131148 0.81 SMN1; SMN2 (0.63) ALDH1A1HTTSMN1; SMN2HRH3KDM4E
SCHEMBL24302651 0.81 ALDH1A1 (0.41) ALDH1A1HTTKDM4ECHKAMAPT
SCHEMBL28192273 0.79 ALDH1A1 (0.96) ALDH1A1HTTSMN1; SMN2HRH3KDM4E
SCHEMBL22958899 0.79 KDM4E (0.55) ALDH1A1HTTSMN1; SMN2HRH3KDM4E
SCHEMBL8251635 0.78 ALDH1A1 (0.69) ALDH1A1HTTSMN1; SMN2HRH3KDM4E
SCHEMBL13293320 0.78 ALDH1A1 (1.00) ALDH1A1HTTSMN1; SMN2HRH3KDM4E
SCHEMBL24746120 0.77 ALDH1A1 (0.72) ALDH1A1HTTSMN1; SMN2HRH3KDM4E
SCHEMBL24746117 0.77 ALDH1A1 (0.72) ALDH1A1HTTSMN1; SMN2HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 EP disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-04-23 US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 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 (4 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885HTT 3960/4885SMN1; SMN2 3555/4885
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ALDH1A1 3448/4885HTT 3960/4885SMN1; SMN2 3555/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885HTT 3960/4885SMN1; SMN2 3555/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ALDH1A1 3448/4885HTT 3960/4885SMN1; SMN2 3555/4885

“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.