SCHEMBL7188643

SCHEMBL7188643

O=S(=O)(Oc1cccc2ccccc12)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ESR2 Q92731 3/20 0.56
GAA P10253 3/20 0.56
HSD11B1 P28845 1/20 0.47
HSD17B3 P37058 1/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
FABP3 P05413 2/20 0.43
FABP7 O15540 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL8837681 0.87 MEN1 (0.52) ESR1MEN1KMT2AESR2GAA
SCHEMBL3933078 0.86 METAP2 (0.59) ESR1MEN1KMT2AESR2GAA
SCHEMBL8971085 0.86 MEN1 (0.49) ESR1MEN1KMT2AESR2GAA
SCHEMBL29077017 0.85 METAP2 (0.58) ESR1MEN1KMT2AESR2GAA
SCHEMBL8837619 0.84 MEN1 (0.46) ESR1MEN1KMT2AESR2GAA
SCHEMBL28390792 0.84 HTR6 (0.55) ESR1MEN1KMT2AESR2GAA
SCHEMBL1073454 0.84 MEN1 (0.68) ESR1MEN1KMT2AESR2GAA
SCHEMBL7189988 0.83 KMT2A (0.49) ESR1MEN1KMT2AESR2GAA
SCHEMBL7191184 0.81 ALDH1A1 (0.50) ESR1MEN1KMT2AESR2GAA
SCHEMBL7608817 0.81 METAP2 (0.47) ESR1MEN1KMT2AESR2GAA

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 4 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
US-4583104-A Recording materials FUJI PHOTO FILM CO., LTD. (JP) 1986-04-15 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 ESR1 4390/4885MEN1 3828/4885KMT2A 3439/4885

“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.