SCHEMBL3484952

SCHEMBL3484952

C=C(C=O)CCCOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6119882 0.90 TSHR (0.47) TEAD3TSHRSMN1; SMN2HTTHRH4
SCHEMBL24027554 0.82 EPHX2 (0.48) TEAD3TSHRSMN1; SMN2HTTEPHX2
SCHEMBL9177436 0.80 TSHR (0.50) TSHRSMN1; SMN2HTTL3MBTL1TDP1
SCHEMBL721274 0.79 EPHX2 (0.48) TEAD3TSHRSMN1; SMN2HTTEPHX2
SCHEMBL27691549 0.78 L3MBTL1 (0.42) TEAD3TSHREPHX2L3MBTL1TDP1
SCHEMBL4663055 0.78 L3MBTL1 (0.50) TEAD3TSHRSMN1; SMN2HTTHRH4
SCHEMBL24006263 0.78 TSHR (0.48) TEAD3TSHRSMN1; SMN2HTTHRH4
SCHEMBL9514785 0.78 HDAC1 (0.57) SMN1; SMN2L3MBTL1TDP1
SCHEMBL291194 0.78 SMN1; SMN2 (0.57) TEAD3TSHRSMN1; SMN2HTTEPHX2
SCHEMBL12992809 0.77 TEAD3 (0.56) TEAD3TSHRSMN1; SMN2HTTEPHX2

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
WO-2024086644-A1 CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A/ SK LIFE SCIENCE LABS (US) 2024-04-25 WO disclosed
US-20100003732-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-SUBSTITUTED PROPANAL DERIVATIVE KANEKA CORPORATION (JP) 2010-01-07 US disclosed
EP-1887085-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-SUBSTITUTED PROPANAL DERIVATIVE Kaneka Corporation (JP) 2008-02-13 EP disclosed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 TEAD3 2297/4885TSHR 3175/4885SMN1; SMN2 3857/4885

“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.