SCHEMBL6445545

SCHEMBL6445545

CCCCOC(=O)[C@@]1(C(F)(F)F)CO1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 4/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
ESR1 P03372 1/20 0.35
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
CES2 O00748 1/20 0.34
CPT1A P50416 1/20 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
SCHEMBL6445550 1.00 ALDH1A1 (0.46) ALDH1A1TSHRHPGDATMTDP1
SCHEMBL6447041 0.82 ATM (0.47) ALDH1A1ATML3MBTL1LMNAPOLB
SCHEMBL6447044 0.82 ATM (0.47) ALDH1A1ATML3MBTL1LMNAPOLB
SCHEMBL3807047 0.75 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMTDP1
SCHEMBL3043065 0.75 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMTDP1
SCHEMBL14967664 0.74 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMTDP1
SCHEMBL6448447 0.73 EPHX1 (0.36) HPGDTDP1L3MBTL1SMN1; SMN2NAAA
SCHEMBL12628997 0.72 ALDH1A1 (0.48) ALDH1A1TSHRHPGDATMTDP1
SCHEMBL17928878 0.72 ALDH1A1 (0.48) ALDH1A1TSHRHPGDATMTDP1
SCHEMBL6451365 0.72 HCAR2 (0.44) ALDH1A1TSHRHPGDTDP1L3MBTL1

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-6921832-B2 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2005-07-26 US disclosed
US-20040147756-A1 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2004-07-29 US disclosed
EP-1422226-A1 Optically active fluorine-containing compounds and processes for their production Tosoh Corporation (JP) 2004-05-26 EP 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-20040147756-A1 Optically active fluorine-containing compounds and processes for their production CYP2C19, CYP2F1, CYP2B6 ALDH1A1 898/4885TSHR 986/4885HPGD 1817/4885

“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.