SCHEMBL20625929

SCHEMBL20625929

O=C(Nc1ccc2ccccc2c1-c1c(N=C=S)ccc2ccccc12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NR3C1 P04150 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
CCR2 P41597 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC8 Q9BY41 4/20 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
SCHEMBL18618549 0.84 ALDH1A1 (0.46) ABCB11ALDH1A1NR3C1CYP1A2CYP3A4
SCHEMBL20625890 0.79 ABCC9 (0.43) ABCB11ALDH1A1NR3C1CYP1A2CYP3A4
SCHEMBL20625930 0.77 HDAC1 (0.45) ALDH1A1HPGDHSD17B10HDAC1HDAC7
SCHEMBL2088436 0.70 CETP (0.50) ALDH1A1HPGDHDAC1HDAC7HDAC8
SCHEMBL5551553 0.70 HDAC1 (0.70) ALDH1A1CYP1A2CYP3A4HPGDHDAC1
SCHEMBL3788181 0.69 HDAC1 (0.47) HDAC1HDAC7HDAC8HDAC6JAK2
SCHEMBL22265182 0.67 HDAC1 (0.72) ALDH1A1CYP1A2CYP3A4HPGDMAOA
SCHEMBL20436327 0.65 ALDH1A1 (0.57) ALDH1A1CYP1A2HPGDMAOAHSD17B10
SCHEMBL17570895 0.65 CYP1A2 (0.43) ALDH1A1CYP1A2HPGDMAPTKDM4E
SCHEMBL29642615 0.65 ALDH1A1 (0.42) ABCB11ALDH1A1NR3C1CYP1A2CYP3A4

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-10174161-B2 Transformation of meso-lactide COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-01-08 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-10174161-B2 Transformation of meso-lactide RALA, LCT, LTA ABCB11 3448/4885ALDH1A1 2306/4885NR3C1 4090/4885

“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.