SCHEMBL25316638

SCHEMBL25316638

CCC=CC/C=C\CCCCC=C=CCCCC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.77
PPARG P37231 8/20 0.77
F7 P08709 7/20 0.77
F3 P13726 7/20 0.77
CYP19A1 P11511 6/20 0.77
PPARD Q03181 6/20 0.77
PPARA Q07869 6/20 0.77
PTGS1 P23219 5/20 0.77
OXER1 Q8TDS5 4/20 0.77
KMT2A Q03164 3/20 0.77
RXRA P19793 2/20 0.77
ADORA3 P0DMS8 1/20 0.77
FFAR1 O14842 5/20 0.73
MAPT P10636 4/20 0.73
L3MBTL1 Q9Y468 3/20 0.73
KDM4E B2RXH2 3/20 0.73
LMNA P02545 3/20 0.73
CYP3A4 P08684 3/20 0.73
HPGD P15428 3/20 0.73
ALOX15 P16050 3/20 0.73

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
SCHEMBL25316642 1.00 ALDH1A1 (0.77) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL25316634 1.00 ALDH1A1 (0.77) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL5492069 0.97 ALDH1A1 (0.77) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL5492063 0.97 ALDH1A1 (0.77) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL6119205 0.90 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL185377 0.90 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL185378 0.90 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL4162358 0.90 ALDH1A1 (0.96) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL17667603 0.89 ALDH1A1 (0.66) ALDH1A1PPARGF7F3CYP19A1
SCHEMBL9632181 0.89 PPARG (0.78) ALDH1A1PPARGF7F3CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190719-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE BIOHAVEN THERAPEUTICS LTD (US) 2023-06-22 US disclosed
CN-115836052-A Topical formulations of (1S) -1-phenyl-2-pyridin-2-ylethylamine 拜尔哈文制药股份有限公司 2023-03-21 CN 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-20230190719-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE TRPV1, PNN, SLC18A2 ALDH1A1 527/4885PPARG 2289/4885F7 2819/4885

“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.