SCHEMBL5969736

SCHEMBL5969736

COc1ccc(CC(=O)[O-])cc1.[Cs+]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
CTBP2 P56545 1/20 0.56
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
LDHA P00338 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
F2RL1 P55085 1/20 0.52
MAPT P10636 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL10640045 0.96 HTT (0.63) HTTSMN1; SMN2CTBP2CA1CA2
SCHEMBL14813139 0.84 HTT (0.59) HTTSMN1; SMN2CTBP2CA1CA2
SCHEMBL3628705 0.83 HTT (0.68) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL5791802 0.82 CTBP2 (0.64) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL48525 0.81 HTT (0.66) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL28709451 0.81 HTT (0.66) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL240822 0.81 KDM4E (0.74) HTTSMN1; SMN2CTBP2CA2LDHA
SCHEMBL1525068 0.81 HTT (0.66) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL4643470 0.80 HTT (0.59) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL7642020 0.80 HTT (0.65) HTTSMN1; SMN2CTBP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128608-A1 Novel chemical compounds and their use BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2006-06-15 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-20060128608-A1 Novel chemical compounds and their use PGLS, ABCG2, UGCG HTT 4764/4885SMN1; SMN2 4826/4885CTBP2 4117/4885

“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.