SCHEMBL4934697

SCHEMBL4934697

O=[C]C(O)=C(O)c1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.54
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA1 P00915 1/20 0.54
HMGB1 P09429 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
HSD17B10 Q99714 5/20 0.46
MAPT P10636 4/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL2817419 0.75 HPGD (0.56) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL6548810 0.74 KDM4E (0.56) HPGDKDM4EALDH1A1SMN1; SMN2CA12
Salicylic Acid SCHEMBL28110158 0.74 ALDH1A1 (0.86) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL5582134 0.73 TDP1 (0.46) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL30063948 0.73 KDM4E (0.60) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL89144 0.73 KDM4E (0.60) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL8669960 0.73 KDM4E (0.60) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL328796 0.71 HPGD (0.56) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL1357094 0.71 HPGD (0.52) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL21685 0.71 HPGD (0.52) HPGDKDM4EALDH1A1SMN1; SMN2CA12

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-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 US disclosed
WO-2006129134-A1 SYNERGIC COMBINATIONS COMPRISING A STYRYLQUINOLINE COMPOUND AND OTHER HIV INFECTION THERAPEUTIC AGENTS BIOALLIANCE PHARMA (FR) 2006-12-07 WO 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-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CTSL, CDKL1, QTRT2 HPGD 2620/4885KDM4E 2169/4885ALDH1A1 2239/4885

“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.