SCHEMBL21740929

SCHEMBL21740929

CC(C)(C)c1ccc(CC(C)(C)c2ccc(-c3ccccc3)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.39
ESR1 P03372 1/20 0.39
CYP19A1 P11511 2/20 0.37
PTPN5 P54829 1/20 0.36
CSNK2A1 P68400 2/20 0.36
CNR2 P34972 1/20 0.35
TAAR1 Q96RJ0 2/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CYP2C9 P11712 1/20 0.33
KIF11 P52732 1/20 0.33
SERPINE1 P05121 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32

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
SCHEMBL22477669 0.81 FDPS (0.40) ESR2ESR1TAAR1
SCHEMBL21302117 0.79 ESR1 (0.40) ESR2ESR1TAAR1KIF11
SCHEMBL19806085 0.78 KIF11 (0.35) ESR2ESR1TAAR1KIF11
SCHEMBL12618222 0.78 ESR2 (0.52) ESR2ALOX5AKR1C2AKR1C1RXRA
SCHEMBL22649429 0.77 GABRA1 (0.35) ESR2ESR1CYP2C9
SCHEMBL19841847 0.75 F2R (0.31) ESR2ESR1KIF11
SCHEMBL25530522 0.74 ESR1 (0.42) ESR1CSNK2A1TAAR1CYP2C9
SCHEMBL19557888 0.72 ESR1 (0.33) ESR2ESR1CYP19A1ALOX5KIF11
SCHEMBL14666784 0.71 AKR1C2 (0.49) AKR1C2AKR1C1KIF11
SCHEMBL24126779 0.71

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
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-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-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
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 (5 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 ESR2 1685/4885ESR1 2809/4885CYP19A1 4615/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ESR2 1685/4885ESR1 2809/4885CYP19A1 4615/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ESR2 1685/4885ESR1 2809/4885CYP19A1 4615/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS ESR2 1685/4885ESR1 2809/4885CYP19A1 4615/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ESR2 1685/4885ESR1 2809/4885CYP19A1 4615/4885

“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.