SCHEMBL13640491

SCHEMBL13640491

C[C@@H](CC1(C)CCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.41
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
ENPEP Q07075 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BLM P54132 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
SCHEMBL27620541 0.91 GABRR1 (0.39) MMEGABRR1CYP1A2FOLH1NAALAD2
SCHEMBL19304043 0.79 ALDH1A1 (0.34) MMECYP1A2TSHRALDH1A1BLM
SCHEMBL18542435 0.79 ALDH1A1 (0.34) MMECYP1A2TSHRALDH1A1BLM
SCHEMBL1964678 0.77 GRM1 (0.44) CYP1A2
SCHEMBL15085781 0.77 MME (0.40) MMEGABRR1CYP1A2FOLH1NAALAD2
SCHEMBL8266671 0.77 GRM1 (0.44) CYP1A2
SCHEMBL3463057 0.77 EPHX1 (0.43) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL6885266 0.77 GRM1 (0.44) CYP1A2
SCHEMBL24520216 0.75 GRM1 (0.43)
SCHEMBL24548562 0.75 GRM1 (0.43)

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-8859605-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-11-08 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 (1 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-20120283305-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTRB1 MME 136/4885GABRR1 2930/4885CYP1A2 860/4885

“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.