SCHEMBL23867624

SCHEMBL23867624

C=C(C)C1Cc2c(ccc3c2OC[C@H](c2cc(OC)c(OC)cc2OCC)C3=O)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.61
▸ MAPT P10636 6/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ LMNA P02545 4/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ CYP2C19 P33261 3/20 0.61
▸ MT-ND4 P03905 3/20 0.61
▸ CYP2C9 P11712 3/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ TSHR P16473 2/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ USP2 O75604 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ GMNN O75496 1/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ CYP19A1 P11511 1/20 0.61

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
Rotenone SCHEMBL29351552 0.76 CYP3A4 (1.00) CYP3A4MAPTALDH1A1KDM4ELMNA
Rotenone SCHEMBL13845713 0.76 CYP3A4 (1.00) CYP3A4MAPTALDH1A1KDM4ELMNA
Rotenone SCHEMBL29388856 0.76 CYP3A4 (1.00) CYP3A4MAPTALDH1A1KDM4ELMNA
Rotenone SCHEMBL42253 0.76 CYP3A4 (1.00) CYP3A4MAPTALDH1A1KDM4ELMNA
Rotenone SCHEMBL19019920 0.76 CYP3A4 (1.00) CYP3A4MAPTALDH1A1KDM4ELMNA
Rotenone SCHEMBL13926662 0.76 CYP3A4 (1.00) CYP3A4MAPTALDH1A1KDM4ELMNA
Rotenone SCHEMBL20152380 0.76 CYP3A4 (1.00) CYP3A4MAPTALDH1A1KDM4ELMNA
Rotenone SCHEMBL9815546 0.76 CYP3A4 (1.00) CYP3A4MAPTALDH1A1KDM4ELMNA
Rotenone SCHEMBL5490007 0.75 CYP3A4 (0.98) CYP3A4MAPTALDH1A1KDM4ELMNA
Rotenone SCHEMBL7142434 0.74 CYP3A4 (0.95) CYP3A4MAPTALDH1A1KDM4ELMNA

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-20210300878-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2021-09-30 — — 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-20210300878-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885MAPT 4043/4885ALDH1A1 2228/4885

“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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