SCHEMBL12902003

SCHEMBL12902003

C/C=C/C/C=C/CCC(=O)[C@H]1O[C@H]1C(C)=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
MAPT P10636 4/20 0.74
PTGS1 P23219 3/20 0.74
F13A1 P00488 1/20 0.74
THRB P10828 1/20 0.74
FASN P49327 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
PPARG P37231 5/20 0.37
CYP19A1 P11511 3/20 0.37
FFAR1 O14842 3/20 0.37
RXRA P19793 2/20 0.37
OXER1 Q8TDS5 2/20 0.37
CNR1 P21554 6/20 0.33
CNR2 P34972 4/20 0.33
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
F7 P08709 2/20 0.32
F3 P13726 2/20 0.32
KMT2A Q03164 2/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
Cerulenin SCHEMBL20528755 0.85 ALDH1A1 (1.00) ALDH1A1MAPTPTGS1F13A1THRB
Cerulenin SCHEMBL8678332 0.85 ALDH1A1 (1.00) ALDH1A1MAPTPTGS1F13A1THRB
Cerulenin SCHEMBL28576416 0.85 ALDH1A1 (1.00) ALDH1A1MAPTPTGS1F13A1THRB
Cerulenin SCHEMBL4450603 0.85 ALDH1A1 (1.00) ALDH1A1MAPTPTGS1F13A1THRB
Cerulenin SCHEMBL3183350 0.85 ALDH1A1 (1.00) ALDH1A1MAPTPTGS1F13A1THRB
Cerulenin SCHEMBL41207 0.85 ALDH1A1 (1.00) ALDH1A1MAPTPTGS1F13A1THRB
Cerulenin SCHEMBL8716153 0.85 ALDH1A1 (1.00) ALDH1A1MAPTPTGS1F13A1THRB
Cerulenin SCHEMBL10387308 0.85 ALDH1A1 (1.00) ALDH1A1MAPTPTGS1F13A1THRB
SCHEMBL9453465 0.83 ALDH1A1 (0.68) ALDH1A1MAPTPTGS1F13A1THRB
SCHEMBL9453468 0.83 ALDH1A1 (0.68) ALDH1A1MAPTPTGS1F13A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110033422-A1 TREATMENTS FOR FLAVIVIRIDAE VIRUS INFECTION SCHERING CORPORATION 2011-02-10 US disclosed
US-7816339-B2 Treatments for Flaviviridae virus infection SCHERING CORPORATION (US) 2010-10-19 US disclosed
US-7592315-B2 Peptide viral entry inhibitors SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20090209483-A1 TREATMENTS FOR FLAVIVIRIDAE VIRUS INFECTION SCHERING CORPORATION 2009-08-20 US disclosed
US-7524831-B2 Treatments for Flaviviridae virus infection SCHERING CORPORATION (US) 2009-04-28 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 (2 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-20110033422-A1 TREATMENTS FOR FLAVIVIRIDAE VIRUS INFECTION HAVCR2, EIF2AK2, HNRNPC ALDH1A1 464/4885MAPT 4147/4885PTGS1 2431/4885
US-20090209483-A1 TREATMENTS FOR FLAVIVIRIDAE VIRUS INFECTION HAVCR2, EIF2AK2, HNRNPC ALDH1A1 464/4885MAPT 4147/4885PTGS1 2431/4885

“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.