SCHEMBL21776333

SCHEMBL21776333

Cc1cc(OCC(C)C)ncc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL19154718 0.81 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14093026 0.79 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19122570 0.77 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10201866 0.77 NNMT (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18956845 0.76 UHRF1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19422368 0.72 NOS3 (0.36)
SCHEMBL20469384 0.70 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20665193 0.69 POLB (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10202433 0.68 UHRF1 (0.48) GABRA1GABRB2POLBSMN1; SMN2TSHR
SCHEMBL12301390 0.67 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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-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 (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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS GABRP 4406/4885GABRD 4379/4885GABRA1 4521/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS GABRP 4406/4885GABRD 4379/4885GABRA1 4521/4885

“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.