SCHEMBL5597725

SCHEMBL5597725

C=CCCCCCCCC(F)CO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.45
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.40
ABCC4 O15439 1/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
LPAR3 Q9UBY5 2/20 0.35
LMNA P02545 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
RECQL P46063 1/20 0.35
TRPA1 O75762 2/20 0.33
SLC2A1 P11166 1/20 0.30

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
SCHEMBL9651983 1.00 USP2 (0.45) USP2TSHRMAPTABCC4ALDH1A1
SCHEMBL5597723 1.00 USP2 (0.45) USP2TSHRMAPTABCC4ALDH1A1
SCHEMBL9651791 0.83 LMNA (0.38) MAPTCYP3A4LMNA
SCHEMBL8400134 0.80
SCHEMBL8400133 0.80
SCHEMBL8400138 0.80
SCHEMBL3121647 0.79 LMNA (0.50) USP2TSHRMAPTABCC4ALDH1A1
SCHEMBL9453313 0.79 USP2 (0.46) USP2TSHRMAPTABCC4ALDH1A1
SCHEMBL20434779 0.79 USP2 (0.46) USP2TSHRMAPTABCC4ALDH1A1
SCHEMBL16803184 0.79 USP2 (0.46) USP2TSHRMAPTABCC4ALDH1A1

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-7265249-B2 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-09-04 US disclosed
US-20060189830-A1 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-08-24 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-20060189830-A1 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts ALDH3A1, ALDH1A1, POLL USP2 4391/4885TSHR 3052/4885MAPT 3645/4885

“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.