SCHEMBL26558284

SCHEMBL26558284

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
CYP19A1 P11511 4/20 0.42
MAPT P10636 4/20 0.42
PPARG P37231 3/20 0.42
OXER1 Q8TDS5 3/20 0.42
RXRA P19793 2/20 0.42
FFAR1 O14842 2/20 0.42
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
PTGS1 P23219 3/20 0.35
KMT2A Q03164 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.34
NR1I2 O75469 2/20 0.33
PTGS2 P35354 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33

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
SCHEMBL24531679 1.00 ALDH1A1 (0.42) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL11079897 0.76 FFAR1 (0.31) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL11079901 0.76 FFAR1 (0.31) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL8355110 0.71 ALDH1A1 (0.45) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL12505655 0.71 TERT (0.53) CYP19A1MAPTPPARGF7F3
SCHEMBL9005200 0.69
SCHEMBL640374 0.69
SCHEMBL640375 0.69
SCHEMBL5674959 0.69 ALDH1A1 (0.46) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL11084845 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331652-A1 TRANS-CYCLOOCTENES WITH HIGH REACTIVITY AND FAVORABLE PHYSIOCHEMICAL PROPERTIES UNIVERSITY OF DELAWARE (US) 2023-10-19 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 (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-20230331652-A1 TRANS-CYCLOOCTENES WITH HIGH REACTIVITY AND FAVORABLE PHYSIOCHEMICAL PROPERTIES OXER1, TALDO1, TAOK1 ALDH1A1 1699/4885CYP19A1 362/4885MAPT 2549/4885

“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.