SCHEMBL13056515

SCHEMBL13056515

C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(CO)c(OC)cc4[C@@H]2C3=O)O1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 10/20 0.84
▸ MAPT P10636 9/20 0.84
▸ SMN1; SMN2 Q16637 7/20 0.84
▸ ALDH1A1 P00352 5/20 0.84
▸ KDM4E B2RXH2 5/20 0.84
▸ CYP2C19 P33261 4/20 0.84
▸ LMNA P02545 4/20 0.84
▸ MAPK1 P28482 4/20 0.84
▸ TDP1 Q9NUW8 4/20 0.84
▸ TP53 P04637 4/20 0.84
▸ USP2 O75604 4/20 0.84
▸ TSHR P16473 3/20 0.84
▸ MT-ND4 P03905 3/20 0.84
▸ CYP2C9 P11712 2/20 0.84
▸ NPC1 O15118 2/20 0.84
▸ RAB9A P51151 2/20 0.84
▸ CYP1A2 P05177 2/20 0.84
▸ HPGD P15428 2/20 0.84
▸ GMNN O75496 1/20 0.84
▸ ABCB11 O95342 1/20 0.84

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
SCHEMBL13056522 0.91 CYP3A4 (0.74) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL42253 0.91 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL29351552 0.91 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL13926662 0.91 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL9815546 0.91 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL19019920 0.91 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL13845713 0.91 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL20152380 0.91 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL29388856 0.91 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13950481 0.91 CYP3A4 (0.74) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009763-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2018-01-11 — — US disclosed
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 — — US disclosed
US-9718786-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2017-08-01 — — US disclosed
US-20160130235-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2016-05-12 — — US disclosed
US-9328123-B2 Rotenone derivatives and a use thereof KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2016-05-03 — — US disclosed
US-9161997-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. 2015-10-20 — — US disclosed
US-20150225416-A1 Novel Rotenone Derivatives and a Use Thereof KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2015-08-13 — — US disclosed
US-20140323336-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-10-30 — — US disclosed
US-20120276006-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2012-11-01 — — US disclosed
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-11-25 — — 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 (5 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-20180009763-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885MAPT 4043/4885SMN1; SMN2 2969/4885
US-20150225416-A1 Novel Rotenone Derivatives and a Use Thereof PLIN1, PNLIP, GPR119 CYP3A4 716/4885MAPT 4652/4885SMN1; SMN2 3009/4885
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG CYP3A4 24/4885MAPT 2915/4885SMN1; SMN2 4733/4885
US-20160130235-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885MAPT 4043/4885SMN1; SMN2 2969/4885
US-20120276006-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885MAPT 4043/4885SMN1; SMN2 2969/4885

“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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