SCHEMBL7028623

SCHEMBL7028623

COc1ccc(C(=O)O)c([C@H]2CC[C@H](c3ccc(O)cc3O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
CYP3A4 P08684 5/20 0.46
MAPK1 P28482 3/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 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
LMNA P02545 3/20 0.44
CYP1A2 P05177 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
SCHEMBL26788238 0.88 PTGDR2 (0.51) NPC1RAB9AALDH1A1HPGDCYP3A4
SCHEMBL7027323 0.83 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL7025130 0.80 CA1 (0.47) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7026054 0.80 CA1 (0.47) RAB9AALDH1A1MAPTSMN1; SMN2CA12
SCHEMBL7026057 0.80 CA1 (0.47) RAB9AALDH1A1MAPTSMN1; SMN2CA12
SCHEMBL7025132 0.80 CA1 (0.47) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7029353 0.80 CA12 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7029347 0.80 CA12 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL21644944 0.79 PTGDR2 (0.47) SMN1; SMN2PTGDR2
SCHEMBL12047054 0.79 SMN1; SMN2 (0.53) ALDH1A1HPGDMAPTMEN1KMT2A

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 NPC1 673/4885RAB9A 545/4885ALDH1A1 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.