SCHEMBL17586294

SCHEMBL17586294

CC12CC(CC(=O)O)(C1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.47
POLB P06746 1/20 0.39
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 3/20 0.36
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR3 O14843 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
SCHEMBL12858244 0.97 GRM1 (0.45) GRM1POLBGABRA5GABRB2PKM
SCHEMBL7530245 0.95 GRM1 (0.48) GRM1POLBGABRA5GABRB2PKM
SCHEMBL11107723 0.85 GRM1 (0.38) GRM1POLBGABRA5GABRB2PKM
SCHEMBL2436799 0.83 GRM1 (0.60) GRM1POLBGABRA5GABRB2TSHR
SCHEMBL25070961 0.77 CYP2C19 (0.38) GRM1POLBGABRA5GABRB2TSHR
SCHEMBL17586295 0.77 PKM (0.46) GRM1PKMTSHRALDH1A1
SCHEMBL14571709 0.77 GRM1 (0.50) GRM1POLBGABRA5GABRB2TSHR
SCHEMBL1786642 0.77 MEN1 (0.53) POLBTSHRCYP2C19ALDH1A1CYP1A2
SCHEMBL4982669 0.75 PKM (0.39) PKMTSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL5145929 0.75 PKM (0.50) GRM1PKMTSHRALDH1A1RAB9A

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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 US disclosed
US-20160075654-A1 BICYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2016-03-17 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-20160075654-A1 BICYCLIC COMPOUNDS OPRK1, OPRM1, OPRL1 GRM1 636/4885POLB 2161/4885GABRA5 130/4885
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 GRM1 1514/4885POLB 430/4885GABRA5 3439/4885

“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.