SCHEMBL21901038

SCHEMBL21901038

CC(C)C(C)C(=O)N(Cc1ccco1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
POLB P06746 3/20 0.48
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HSD17B10 Q99714 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.45
THRB P10828 2/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4B Q07343 1/20 0.44
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43

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
SCHEMBL19002782 0.81 HTT (0.51) TSHRALDH1A1KMT2ANPSR1CYP2C19
SCHEMBL24827533 0.79 HTT (0.52) TSHRPOLBALDH1A1KMT2AMEN1
SCHEMBL17788534 0.78 PDE4B (0.49) TSHRPOLBALDH1A1KMT2AMEN1
SCHEMBL18997284 0.78 RIPK1 (0.51) TSHRALDH1A1KMT2AHSD17B10NPSR1
SCHEMBL16373549 0.76 PDE4B (0.52) TSHRPOLBALDH1A1KMT2AMEN1
SCHEMBL19049514 0.74 RIPK1 (0.53) TSHRALDH1A1KMT2AMEN1CYP2C19
SCHEMBL21349767 0.69 DPP4 (0.39) KMT2AMEN1
SCHEMBL12155431 0.69 RIPK1 (0.57) TSHRPOLBALDH1A1NPSR1
SCHEMBL17983768 0.69 ALOX5 (0.47) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL20665842 0.68 LMNA (0.46) POLBALDH1A1CYP2C19HTTTHRB

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-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 (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-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS TSHR 4307/4885POLB 3534/4885ALDH1A1 3448/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS TSHR 4307/4885POLB 3534/4885ALDH1A1 3448/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS TSHR 4307/4885POLB 3534/4885ALDH1A1 3448/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS TSHR 4307/4885POLB 3534/4885ALDH1A1 3448/4885

“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.