SCHEMBL893136

SCHEMBL893136

O=C(O)C1C2C=CC(C3CC23)C1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 1.00
TDP1 Q9NUW8 3/20 1.00
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 3/20 0.50
TP53 P04637 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.49
APEX1 P27695 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HSD11B1 P28845 1/20 0.37
HSD11B2 P80365 1/20 0.37
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 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
SCHEMBL26108329 1.00 POLB (1.00) POLBTDP1PKMNPSR1TP53
SCHEMBL31265114 1.00 POLB (1.00) POLBTDP1PKMNPSR1TP53
SCHEMBL3215221 0.84 POLB (0.70) POLBTDP1PKMNPSR1TP53
SCHEMBL393414 0.84 POLB (0.70) POLBTDP1PKMNPSR1TP53
SCHEMBL3200631 0.84 POLB (0.70) POLBTDP1PKMNPSR1TP53
SCHEMBL8760765 0.84 POLB (0.70) POLBTDP1PKMNPSR1TP53
SCHEMBL389507 0.84 POLB (0.70) POLBTDP1PKMNPSR1TP53
SCHEMBL21878910 0.83 POLB (0.71) POLBTDP1PKMNPSR1TP53
SCHEMBL106105 0.80 POLB (0.65) POLBTDP1PKMNPSR1TP53
Hydrochloric Acid SCHEMBL9569081 0.77 POLB (0.62) POLBTDP1PKMNPSR1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623086-B1 Curable mixture comprising plasticisers with a polyalicyclic structure element for use in the production of dental materials. VOCO GMBH (DE) 2019-07-10 EP disclosed
US-9079828-B2 Polymerizable compounds comprising a polyalicylic structure element VOCO GMBH (DE) 2015-07-14 US disclosed
EP-2623086-A2 Curable mixture comprising plasticisers with a polyalicyclic structure element for use in the production of dental materials. VOCO GmbH (DE) 2013-08-07 EP disclosed
EP-2436668-B1 Polymerisable compounds comprising a polyalicyclic structure element VOCO GMBH (DE) 2012-09-12 EP disclosed
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
EP-2436668-A1 Polymerisable compounds comprising a polyalicyclic structure element VOCO GmbH (DE) 2012-04-04 EP 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-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element PCBP1, PUF60, PARG POLB 160/4885TDP1 1169/4885PKM 1269/4885

“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.