SCHEMBL13692853

SCHEMBL13692853

COc1ccc2c(c1)oc(=O)c1c3cc4c(cc3oc21)OCO4

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ MAPT P10636 6/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ POLB P06746 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ LMNA P02545 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ THRB P10828 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ BLM P54132 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL31302252 0.85 KDM4E (0.64) ALDH1A1KDM4EMAPTRAB9APOLB
SCHEMBL74591 0.81 KDM4E (0.71) ALDH1A1KDM4EMAPTPOLBCYP3A4
SCHEMBL29929471 0.81 KDM4E (0.71) ALDH1A1KDM4EMAPTPOLBCYP3A4
SCHEMBL4778019 0.78 MAPT (0.76) ALDH1A1KDM4EMAPTRAB9APOLB
SCHEMBL30266809 0.78 MAPT (0.76) ALDH1A1KDM4EMAPTRAB9APOLB
SCHEMBL20350085 0.77 MAOA (0.55) ALDH1A1KDM4EMAPTRAB9APOLB
SCHEMBL26628205 0.75 XDH (0.51) ALDH1A1KDM4EMAPTRAB9APOLB
SCHEMBL20349998 0.74 CYP3A4 (0.55) ALDH1A1KDM4EMAPTRAB9APOLB
SCHEMBL31429777 0.74 MEN1 (0.50) ALDH1A1KDM4EMAPTPOLBCYP3A4
SCHEMBL26628225 0.73 KDM4E (0.51) ALDH1A1KDM4EMAPTRAB9APOLB

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-20090221690-A1 Pharmaceutical Composition for the Prevention/Treatment of Bone Disorders and a Process for the Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (US) 2009-09-03 — — 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-20090221690-A1 Pharmaceutical Composition for the Prevention/Treatment of Bone Disorders and a Process for the Preparation Thereof SOST, BPGM, PTMS ALDH1A1 3723/4885KDM4E 1153/4885MAPT 896/4885

“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.

Send feedback