SCHEMBL20869702

SCHEMBL20869702

FC(F)(F)/C=C/Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CA4 P22748 1/20 0.33
MAOB P27338 1/20 0.32
KCNA3 P22001 1/20 0.31
MLYCD O95822 1/20 0.31
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
RAB9A P51151 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
SCHEMBL20856386 1.00 TSHR (0.36) TSHRLTA4HALDH1A1CA4MAOB
SCHEMBL20856387 1.00 TSHR (0.36) TSHRLTA4HALDH1A1CA4MAOB
SCHEMBL20856848 0.88 PIM1 (0.31)
SCHEMBL20856846 0.88 PIM1 (0.31)
SCHEMBL2818333 0.77 LTA4H (0.50) TSHRLTA4HALDH1A1CA4MAOB
SCHEMBL16782647 0.77 LTA4H (0.50) TSHRLTA4HALDH1A1CA4MAOB
SCHEMBL2818335 0.77 LTA4H (0.50) TSHRLTA4HALDH1A1CA4MAOB
SCHEMBL3630500 0.76 LTA4H (0.39) TSHRLTA4HALDH1A1CA4MAOB
SCHEMBL7658790 0.76 TSHR (0.35) TSHRLTA4HALDH1A1CA4MAOB
SCHEMBL28616418 0.73 LTA4H (0.41) TSHRLTA4HALDH1A1CA4MAOB

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-20200283351-A1 HALOGENATED HETEROALKENYL- AND HETEROALKYL-FUNCTIONALIZED ORGANIC COMPOUNDS AND METHODS FOR PREPARING SUCH COMPOUNDS ARKEMA INC. 2020-09-10 US disclosed
WO-2019067394-A1 HALOGENATED HETEROALKENYL- AND HETEROALKYL-FUNCTIONALIZED ORGANIC COMPOUNDS AND METHODS FOR PREPARING SUCH COMPOUNDS ARKEMA INC. (US) 2019-04-04 WO 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-20200283351-A1 HALOGENATED HETEROALKENYL- AND HETEROALKYL-FUNCTIONALIZED ORGANIC COMPOUNDS AND METHODS FOR PREPARING SUCH COMPOUNDS SOAT2, SOAT1, PNMT TSHR 1023/4885LTA4H 1545/4885ALDH1A1 441/4885

“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.