SCHEMBL13819787

SCHEMBL13819787

CCC=CCC=CCC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
CYP19A1 P11511 4/20 0.50
OXER1 Q8TDS5 4/20 0.50
PPARG P37231 3/20 0.50
MAPT P10636 3/20 0.50
RXRA P19793 2/20 0.50
FFAR1 O14842 2/20 0.50
PTGS1 P23219 4/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
PPARA Q07869 3/20 0.47
KMT2A Q03164 2/20 0.47
PPARD Q03181 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
NR1I2 O75469 2/20 0.44
PTGS2 P35354 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL17676487 1.00 ALDH1A1 (0.50) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL15223579 1.00 ALDH1A1 (0.50) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL839630 0.92
SCHEMBL801900 0.92
SCHEMBL839631 0.92
SCHEMBL18868445 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15TDP1KDM4ELMNA
SCHEMBL12572575 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15TDP1KDM4ELMNA
SCHEMBL23803612 0.80 ALDH1A1 (0.61) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL7625812 0.80 ALDH1A1 (0.61) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL12621471 0.80 ALDH1A1 (0.61) ALDH1A1CYP19A1OXER1PPARGMAPT

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-9433577-B2 Pharmaceutical composition comprising oligopeptides MERCK PATENT GMBH (DE) 2016-09-06 US disclosed
US-20160228551-A1 Method of Treating Disorders using a Pharmaceutical Composition of Oligopeptides MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20120288539-A1 PHARMACEUTICAL COMPOSITION COMPRISING OLIGOPEPTIDES MERCK PATENT GMBH (DE) 2012-11-15 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-20120288539-A1 PHARMACEUTICAL COMPOSITION COMPRISING OLIGOPEPTIDES VIP, LNPEP, IAPP ALDH1A1 4801/4885CYP19A1 2589/4885OXER1 2165/4885
US-20160228551-A1 Method of Treating Disorders using a Pharmaceutical Composition of Oligopeptides IAPP, PCSK9, VIP ALDH1A1 4688/4885CYP19A1 2198/4885OXER1 1789/4885

“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.