SCHEMBL4124579

SCHEMBL4124579

C=C(C)C1Cc2c(ccc(C(=O)C3CCOc4cc(OC)c(OC)cc43)c2O)O1.CCCC[SnH](CCCC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.45
▸ CYP3A4 P08684 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ MT-ND4 P03905 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GMNN O75496 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL1934352 0.91 MAPK1 (0.53) MAPK1CYP3A4MAPTALDH1A1CYP2C19
SCHEMBL1934355 0.91 MAPK1 (0.53) MAPK1CYP3A4MAPTALDH1A1CYP2C19
SCHEMBL4114087 0.81 MAPT (0.49) MAPK1CYP3A4MAPTALDH1A1CYP2C19
SCHEMBL29894504 0.67 CYP1A1 (0.37) TSHRCYP1A2PTGDR2
Tubaic Acid SCHEMBL14443999 0.65 MAPK1 (1.00) MAPK1CYP3A4MAPTALDH1A1CYP2C19
SCHEMBL12343777 0.65 PTGDR2 (0.38) HIF1APTGDR2
SCHEMBL20902712 0.62 MAPT (0.48) MAPK1CYP3A4MAPTALDH1A1CYP2C19
SCHEMBL10280019 0.62 CYP3A4 (0.63) MAPK1CYP3A4MAPTALDH1A1CYP2C19
SCHEMBL47262 0.62 CYP3A4 (0.63) MAPK1CYP3A4MAPTALDH1A1CYP2C19
SCHEMBL13056618 0.62 CYP3A4 (0.63) MAPK1CYP3A4MAPTALDH1A1CYP2C19

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 MAPK1 4450/4885CYP3A4 510/4885MAPT 3737/4885

“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