SCHEMBL20540760

SCHEMBL20540760

O=C(O)[C@H]1C[C@@H]2[C@H](C1)[C@H]2C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2C19 P33261 4/20 0.39
GABRR1 P24046 1/20 0.39
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 3/20 0.37
ALOX15 P16050 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A1 P43005 1/20 0.37
TSHR P16473 3/20 0.36
PMP22 Q01453 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
APLNR P35414 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL20540759 1.00 POLB (0.44) POLBTDP1CYP2C19GABRR1CYP2D6
SCHEMBL20540937 1.00 POLB (0.44) POLBTDP1CYP2C19GABRR1CYP2D6
SCHEMBL20540935 1.00 POLB (0.44) POLBTDP1CYP2C19GABRR1CYP2D6
SCHEMBL20540761 1.00 POLB (0.44) POLBTDP1CYP2C19GABRR1CYP2D6
SCHEMBL14016358 0.84 CYP2C19 (0.45) POLBTDP1CYP2C19GABRR1CYP2D6
SCHEMBL16892281 0.81 POLB (0.39) POLBTDP1CYP2C19CYP2D6CYP1A2
SCHEMBL16892207 0.81 APLNR (0.37) POLBTDP1CYP2C19GABRR1CYP2D6
SCHEMBL16892208 0.81 APLNR (0.37) POLBTDP1CYP2C19GABRR1CYP2D6
SCHEMBL8978055 0.78 POLB (0.57) POLBTDP1CYP2C19GABRR1CYP2D6
SCHEMBL23366184 0.77 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15

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-11518768-B2 Artificial metalloenzymes containing noble metal-porphyrins THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-06 US disclosed
US-20180305368-A1 ARTIFICIAL METALLOENZYMES CONTAINING NOBLE METAL-PORPHYRINS U.S. DEPARTMENT OF ENERGY 2018-10-25 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-20180305368-A1 ARTIFICIAL METALLOENZYMES CONTAINING NOBLE METAL-PORPHYRINS PPIH, HMBS, PPOX POLB 779/4885TDP1 3733/4885CYP2C19 148/4885
US-11518768-B2 Artificial metalloenzymes containing noble metal-porphyrins PPIH, HMBS, PPOX POLB 779/4885TDP1 3733/4885CYP2C19 148/4885

“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.