SCHEMBL21900626

SCHEMBL21900626

COCCOCCN(C)C(=O)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.36
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ REN P00797 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL11890394 0.89 PIK3CD (0.45) PIK3CDALDH1A1SMN1; SMN2TDP1
SCHEMBL25792761 0.85 ALDH1A1 (0.34) BLMPMP22HSD17B10ALDH1A1
SCHEMBL24811027 0.83 KDM4E (0.31) PIK3CDBLMPMP22HSD17B10
SCHEMBL25792771 0.81 ALDH1A1 (0.30) HSD17B10ALDH1A1
SCHEMBL25208953 0.80 BLM (0.35) BLMPMP22HSD17B10ALDH1A1
SCHEMBL25229442 0.80 BLM (0.35) BLMPMP22HSD17B10ALDH1A1
SCHEMBL19002253 0.80 BLM (0.35) BLMPMP22HSD17B10ALDH1A1
SCHEMBL19002259 0.79 BLM (0.34) PIK3CDBLMPMP22HSD17B10ALDH1A1
SCHEMBL22151616 0.79 BLM (0.34) PIK3CDBLMPMP22HSD17B10ALDH1A1
SCHEMBL7268450 0.78 REN (0.38) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 — — 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

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-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS PIK3CD 711/4885BLM 464/4885PMP22 2241/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS PIK3CD 711/4885BLM 464/4885PMP22 2241/4885

“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