SCHEMBL21892969

SCHEMBL21892969

Cc1cc(C=O)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
POLB P06746 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
ERN1 O75460 3/20 0.41
APEX1 P27695 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40

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
SCHEMBL24891886 0.88 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1TDP1ERN1
SCHEMBL10111667 0.84 ERN1 (0.38) ALDH1A1POLBL3MBTL1TDP1ERN1
SCHEMBL12488767 0.83 GRIA1 (0.41) ALDH1A1POLBL3MBTL1TDP1ERN1
SCHEMBL30281117 0.83 GRIA1 (0.41) ALDH1A1POLBL3MBTL1TDP1ERN1
SCHEMBL7614681 0.82 ERN1 (0.37) ALDH1A1POLBL3MBTL1TDP1ERN1
SCHEMBL10111663 0.82 ERN1 (0.39) ALDH1A1POLBL3MBTL1TDP1ERN1
SCHEMBL69934 0.79 KDM4E (0.50) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL12488904 0.79 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1TDP1ERN1
SCHEMBL14526673 0.78 ERN1 (0.37) ALDH1A1POLBL3MBTL1TDP1ERN1
SCHEMBL30932083 0.77 GABRP (0.48) ALDH1A1TDP1GABRPGABRDGABRA1

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
EP-3838298-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING Purdue Research Foundation (US) 2021-06-23 EP disclosed
US-10624969-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2020-04-21 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-10624969-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885POLB 3578/4885L3MBTL1 3227/4885

“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.