SCHEMBL4114087

SCHEMBL4114087

C=C(C)C1Cc2c(ccc(C(=O)C3CCOc4cc(OC)c(OC)cc43)c2OC(C)=O)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ CYP3A4 P08684 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPK1 P28482 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ MT-ND4 P03905 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP19A1 P11511 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ GMNN O75496 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ RECQL P46063 1/20 0.49

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
SCHEMBL1934355 0.89 MAPK1 (0.53) MAPTCYP3A4ALDH1A1MAPK1KDM4E
SCHEMBL1934352 0.89 MAPK1 (0.53) MAPTCYP3A4ALDH1A1MAPK1KDM4E
SCHEMBL4124579 0.81 MAPK1 (0.45) MAPTCYP3A4ALDH1A1MAPK1KDM4E
SCHEMBL12343777 0.74 PTGDR2 (0.38) HIF1APTGDR2
SCHEMBL11939511 0.70 HIF1A (0.56) MAPTCYP3A4CYP2C19TSHRSMN1; SMN2
SCHEMBL29894504 0.67 CYP1A1 (0.37) TSHRCYP1A2PTGDR2
SCHEMBL18352892 0.66 CYP3A4 (0.67) MAPTCYP3A4ALDH1A1MAPK1KDM4E
SCHEMBL6408904 0.66 CYP3A4 (0.73) MAPTCYP3A4ALDH1A1MAPK1KDM4E
Rotenone SCHEMBL13845713 0.66 CYP3A4 (1.00) MAPTCYP3A4ALDH1A1MAPK1KDM4E
Rotenone SCHEMBL13926662 0.66 CYP3A4 (1.00) MAPTCYP3A4ALDH1A1MAPK1KDM4E

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-8551448-B2 Rotanone analogs: method of preparation and use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-08 — — US disclosed
US-20090136424-A1 Rotanone Analogs: Method of Preparation and Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-28 — — US disclosed
WO-2007137135-A2 ROTENONE ANALOGS: METHOD OF PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-29 — — WO 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-20090136424-A1 Rotanone Analogs: Method of Preparation and Use NDUFB5, NDUFB10, NDUFB3 MAPT 3737/4885CYP3A4 510/4885ALDH1A1 979/4885

“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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