SCHEMBL4539128

SCHEMBL4539128

CC/C=C/CCCC(C)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
CYP19A1 P11511 4/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
PPARG P37231 3/20 0.47
OXER1 Q8TDS5 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGS1 P23219 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
RXRA P19793 2/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 3/20 0.44
NR1I2 O75469 2/20 0.44
PTGS2 P35354 2/20 0.44
FFAR1 O14842 2/20 0.44
MEN1 O00255 2/20 0.44
ALOX15 P16050 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
SCHEMBL4539138 1.00 ALDH1A1 (0.47) ALDH1A1CYP19A1F7F3PPARG
Hydrochloric Acid SCHEMBL29046582 0.86 ALDH1A1 (0.42) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL29277561 0.82 CNR1 (0.39) ALDH1A1PPARGKMT2APTGS1PPARD
SCHEMBL5934152 0.82 ALDH1A1 (0.48) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL5934157 0.82 ALDH1A1 (0.48) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL20303229 0.81 FAAH (0.59) KMT2AMAPTKDM4ECYP3A4MEN1
SCHEMBL29619483 0.81 ALDH1A1 (0.58) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL10800485 0.81 FAAH (0.59) KMT2AMAPTKDM4ECYP3A4MEN1
SCHEMBL6283769 0.81 FAAH (0.59) KMT2AMAPTKDM4ECYP3A4MEN1
SCHEMBL9238140 0.81 FAAH (0.59) KMT2AMAPTKDM4ECYP3A4MEN1

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-20250073255-A1 USE OF FA-TYPE LIPID COMPOUNDS IN PREPARATION OF NUCLEIC ACID DELIVERY REAGENT AND RELATED PRODUCT BEIJING BAISHIHEKANG PHARMACEUTICAL TECHNOLOGY (BSJPHARMA) CO., LTD (CN) 2025-03-06 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 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-20250073255-A1 USE OF FA-TYPE LIPID COMPOUNDS IN PREPARATION OF NUCLEIC ACID DELIVERY REAGENT AND RELATED PRODUCT FABP2, FABP1, FASN ALDH1A1 3025/4885CYP19A1 2304/4885F7 611/4885

“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.