SCHEMBL5320187

SCHEMBL5320187

CCC(O)c1c(C(=O)O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.37
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35

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
SCHEMBL4278466 0.88 LMNA (0.45) LMNAKDM5BPOLBCYP1A2GABRP
SCHEMBL3079818 0.88 KDM5B (0.37) LMNAKDM5BPOLBCYP1A2GABRP
SCHEMBL19611140 0.86 ALDH1A1 (0.36) KDM5BPOLBCYP1A2GABRPGABRD
SCHEMBL2066277 0.79 GABRP (0.40) LMNAKDM5BPOLBCYP1A2GABRP
SCHEMBL27268730 0.77 GRM1 (0.41) LMNAKDM5BPOLBCYP1A2GABRP
SCHEMBL6448117 0.76 CYP1A2 (0.42) KDM5BPOLBCYP1A2GABRPGABRD
SCHEMBL28238364 0.76 CYP1A2 (0.42) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL5539723 0.76 ALDH1A1 (0.39) LMNAKDM5BPOLBCYP1A2GABRP
SCHEMBL5695797 0.75 POLB (0.44) LMNAKDM5BPOLBALDH1A1KDM4E
SCHEMBL8603134 0.75 ACE2 (0.40) POLBCYP1A2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050244365-A1 Methods, compositions, formulations, and uses of cellulose and acrylic-based polymers NOVAFLUX BIOSCIENCES, INC. (US) 2005-11-03 US claimed
US-20070148124-A1 Cellulose and acrylic based polymers and the use thereof for the treatment of infectious diseases NOVAFLUX INC. 2007-06-28 US disclosed
EP-1749041-A2 CELLULOSE AND ACRYLIC BASED POLYMERS AND THE USE THEREOF FOR THE TREATMENT OF INFECTIOUS DISEASES Nova Flux Biosciences, Inc. (US) 2007-02-07 EP disclosed
WO-2005111112-A2 CELLULOSE AND ACRYLIC BASED POLYMERS AND THE USE THEREOF FOR THE TREATMENT OF INFECTIOUS DISEASES NOVA FLUX BIOSCIENCES, INC. (US) 2005-11-24 WO disclosed
US-20050244365-A1 Methods, compositions, formulations, and uses of cellulose and acrylic-based polymers NOVAFLUX BIOSCIENCES, INC. (US) 2005-11-03 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-20050244365-A1 Methods, compositions, formulations, and uses of cellulose and acrylic-based polymers DNA2, DNASE1, SMC2 LMNA 2674/4885KDM5B 3686/4885POLB 40/4885
US-20070148124-A1 Cellulose and acrylic based polymers and the use thereof for the treatment of infectious diseases ALG1, CHIT1, CHIA LMNA 2751/4885KDM5B 838/4885POLB 3112/4885

“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.