SCHEMBL31360106

SCHEMBL31360106

N[C@@H](c1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
KEAP1 Q14145 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AOC3 Q16853 1/20 0.39
CYP2A6 P11509 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRA2C P18825 3/20 0.37
SLC6A4 P31645 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA1D P25100 2/20 0.37

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
SCHEMBL25155317 1.00 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL30343954 1.00 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL16579379 1.00 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL22326119 0.79 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL3247528 0.79 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL10896572 0.78 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL808997 0.78 CYP2C19 (0.44) ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL808996 0.78 CYP2C19 (0.44) ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL809175 0.77 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10
SCHEMBL809182 0.77 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10

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-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 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-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD ALDH1A1 2460/4885CYP2C9 1482/4885CYP1A2 2421/4885

“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.