SCHEMBL7541938

SCHEMBL7541938

O=Cc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
UNG P13051 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
TPMT P51580 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
CA3 P07451 1/20 0.41
SELL P14151 1/20 0.41
HPGD P15428 1/20 0.41
SELP P16109 1/20 0.41

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
SCHEMBL29446584 0.80 PTPN1 (0.44) UNGKDM4EERN1TRIM24TRIM33
SCHEMBL22882559 0.79 CA12 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL27814250 0.79 KDM4E (0.50) ALDH1A1TPMTKDM4EMAPTLMNA
SCHEMBL9670707 0.79 TPMT (0.44) ALDH1A1CA12CA1CA2CA7
SCHEMBL1813635 0.74 LMNA (0.44) ALDH1A1CA12CA1CA2CA7
SCHEMBL1174688 0.74 TPMT (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL3069036 0.74 TTR (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL28715775 0.74 PTPN1 (0.55) ALDH1A1ALOX15CDC25BTRIM24TRIM33
Benzene SCHEMBL28172839 0.73 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL11718261 0.73 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7

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-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 ALDH1A1 1488/4885CA12 3997/4885CA1 1889/4885

“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.