SCHEMBL7193402

SCHEMBL7193402

O=C(O)c1ccccc1C(=O)C(O)(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 1/20 0.54
AKR1C3 P42330 3/20 0.44
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KMT2A Q03164 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
SCHEMBL7184781 0.80 ALDH1A1 (0.58) ALDH1A1ALOX15AKR1C3KDM4ECA12
SCHEMBL27996457 0.80 ALDH1A1 (0.58) ALDH1A1ALOX15AKR1C3KDM4ECA12
SCHEMBL2208136 0.79 CYP1A2 (0.54) ALDH1A1ALOX15SMN1; SMN2NAPRTCYP1A2
SCHEMBL7196195 0.78 CES1 (0.50) ALDH1A1ALOX15KDM4ECA12CA1
Phthalic Acid SCHEMBL2291427 0.76 ALDH1A1 (0.93) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL31398835 0.76 ALDH1A1 (0.93) ALDH1A1ALOX15AKR1C3KDM4ECA12
SCHEMBL5847579 0.75 ALDH1A1 (0.64) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL30241837 0.74 ALDH1A1 (0.61) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL28753378 0.73 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL10477086 0.73 ALDH1A1 (1.00) ALDH1A1ALOX15AKR1C3KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 ALDH1A1 1488/4885ALOX15 1802/4885AKR1C3 3064/4885

“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.