SCHEMBL7030581

SCHEMBL7030581

O=C(O)c1ccc(C(F)(F)F)cc1[C@H]1CC[C@H](c2ccc(O)cc2O)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
KDM4C Q9H3R0 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
TYR P14679 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
SCHEMBL7030578 1.00 MRGPRX4 (0.47) MRGPRX4KDM4CALDH1A1KDM4EHPGD
SCHEMBL421273 0.88 KDM4E (0.56) MRGPRX4KDM4CALDH1A1KDM4EHPGD
SCHEMBL7029353 0.87 CA12 (0.44) MRGPRX4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7029347 0.87 CA12 (0.44) MRGPRX4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7025132 0.83 CA1 (0.47) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL7025130 0.83 CA1 (0.47) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL3019598 0.82 PTGDR2 (0.58) MRGPRX4KDM4CALDH1A1KDM4EHPGD
SCHEMBL420174 0.82 PTGDR2 (0.54) MRGPRX4KDM4CALDH1A1KDM4EHPGD
SCHEMBL3024092 0.81 PTGDR2 (0.60) MRGPRX4KDM4CALDH1A1KDM4EHPGD
SCHEMBL7026057 0.80 CA1 (0.47) KDM4CALDH1A1KDM4ECA12CA1

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-20030088113-A1 Process for preparing resorcinol derivatives BRADLEY STUART EDWARD (GB) 2003-05-08 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-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR MRGPRX4 2709/4885KDM4C 916/4885ALDH1A1 648/4885

“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.