SCHEMBL21776381

SCHEMBL21776381

CCC(C)(C)NCCCOC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CASR P41180 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL20227891 0.86 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL13291464 0.80 ALDH1A1 (0.41) ALDH1A1GAATSHRMAPK1RECQL
SCHEMBL27577156 0.80 EPHX1 (0.39) ALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL19679395 0.80 EPHX1 (0.34) TSHRCYP1A2CYP2C19
SCHEMBL10245201 0.78 ALDH1A1 (0.41) ALDH1A1GAATSHRMAPK1RECQL
SCHEMBL29185386 0.76 ALDH1A1 (0.36) ALDH1A1GAATSHRMAPK1CYP1A2
SCHEMBL3369009 0.75 EPHX1 (0.41) ALDH1A1TSHRLMNA
SCHEMBL27677711 0.75 TSHR (0.48) ALDH1A1TSHRMAPK1HTTMAPT
SCHEMBL9695136 0.74 TSHR (0.38) TSHR
SCHEMBL19007385 0.74 CYP3A4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 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-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 3448/4885GAA 2581/4885TSHR 4307/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885GAA 2581/4885TSHR 4307/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS ALDH1A1 3448/4885GAA 2581/4885TSHR 4307/4885
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 3448/4885GAA 2581/4885TSHR 4307/4885

“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.