SCHEMBL17469430

SCHEMBL17469430

CC[C@H](C(=O)O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 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
SCHEMBL2035661 1.00 CHRM1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
Hydrochloric Acid SCHEMBL28492070 0.97 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7638052 0.97 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28221463 0.80 CYP2D6 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL826185 0.80 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8743993 0.79 CYP2D6 (0.33) CYP2D6CYP2C9TSHRCYP2C19FAAH
SCHEMBL24832494 0.78 TP53 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3914609 0.78 CYP2D6 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14670243 0.78 TSHR (0.47) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL18918255 0.78 CHRM1 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-9643917-B2 Water-soluble propofol derivatives and uses thereof JIANGSU NHWALUOKANG PHARMCEUTICAL RESEARCH AND DEVELOPMENT CO., LTD (CN) 2017-05-09 US disclosed
US-20170050920-A1 WATER-SOLUBLE PROPOFOL DERIVATIVES AND USES THEREOF JIANGSU NHWALUOKANG PHARMCEUTICAL RESEARCH AND DEVELOPMENT CO., LTD (CN) 2017-02-23 US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 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 (2 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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 CHRM1 4456/4885AKR1A1 658/4885CHRM3 4403/4885
US-20170050920-A1 WATER-SOLUBLE PROPOFOL DERIVATIVES AND USES THEREOF OPRM1, OPRD1, SIGMAR1 CHRM1 83/4885AKR1A1 358/4885CHRM3 613/4885

“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.