SCHEMBL14700006

SCHEMBL14700006

COc1ccc(COc2cc(F)c(Br)cc2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAOB P27338 3/20 0.45
▸ ABCB1 P08183 2/20 0.44
▸ CCR5 P51681 1/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ AGXT P21549 2/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ POLB P06746 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
SCHEMBL190181 0.84 MAOB (0.55) APPSMN1; SMN2NPC1RAB9AMAOB
SCHEMBL18426437 0.83 CTSV (0.53) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL4970541 0.83 CTSV (0.53) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL30443242 0.83 CTSV (0.53) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL20607784 0.82 NPC1 (0.48) APPSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL27028728 0.82 APP (0.45) APPSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL25385941 0.82 APP (0.38) APPNPC1RAB9AMAOBABCB1
SCHEMBL25385697 0.82 APP (0.38) APPSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL29690561 0.79 ALDH1A1 (0.52) APPSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL22836331 0.79 ALDH1A1 (0.52) APPSMN1; SMN2ALDH1A1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145425-B2 Cephem compound having catechol group SHIONOGI & CO., LTD. (JP) 2015-09-29 — — US disclosed
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-04-25 — — US disclosed
EP-2557082-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP Shionogi & Co., Ltd. (JP) 2013-02-13 — — EP 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-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP COMT, EZH1, SETD7 APP 4413/4885SMN1; SMN2 4252/4885ALDH1A1 1895/4885

“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.

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