SCHEMBL20349477

SCHEMBL20349477

C[C@@]12C=C[C@H](C1)[C@@H](C(=O)O)[C@@H]2C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
APLNR P35414 1/20 0.38
APEX1 P27695 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL2832119 1.00 POLB (0.38) POLBTDP1APLNRAPEX1CTDSP1
SCHEMBL1005287 1.00 POLB (0.38) POLBTDP1APLNRAPEX1CTDSP1
SCHEMBL14074016 1.00 POLB (0.38) POLBTDP1APLNRAPEX1CTDSP1
SCHEMBL12342891 0.89 APLNR (0.35) POLBTDP1APLNRAPEX1
SCHEMBL11950520 0.88 APLNR (0.30) POLBTDP1APLNRAPEX1
SCHEMBL1791944 0.86 POLB (0.33) POLBTDP1APLNRAPEX1CTDSP1
SCHEMBL11108301 0.85 PPM1B (0.36) POLBAPLNR
SCHEMBL6175009 0.85 PPM1B (0.36) POLBTDP1APLNRAPEX1
SCHEMBL5832895 0.82 POLB (0.44) POLBTDP1APEX1CTDSP1
SCHEMBL11407715 0.77 POLB (0.34) POLBTDP1APLNRAPEX1CTDSP1

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-10428099-B2 Pharmaceutical co-crystal composition and use thereof Syn-Nat Products Enterprise LLC (US) 2019-10-01 US disclosed
US-20180186822-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITION AND USE THEREOF Syn-Nat Products Enterprise LLC 2018-07-05 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-10428099-B2 Pharmaceutical co-crystal composition and use thereof CXCR3, CCR5, CCR3 POLB 1158/4885TDP1 1807/4885APLNR 3636/4885
US-20180186822-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITION AND USE THEREOF CXCR3, CCR3, CCR5 POLB 1103/4885TDP1 1764/4885APLNR 3676/4885

“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.