SCHEMBL20724251

SCHEMBL20724251

CC#CC(O)(c1cc(C)cc(OCC#CC(O)(c2cccc(-c3ccccc3OC)c2)C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.43
▸ HTR7 P34969 4/20 0.35
▸ PDK2 Q15119 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ AR P10275 1/20 0.33
▸ FFAR1 O14842 3/20 0.33
▸ RORB Q92753 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ ICMT O60725 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ PAX8 Q06710 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ CTSA P10619 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ NR1H2 P55055 1/20 0.31

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
SCHEMBL17974907 0.84 PTPN5 (0.58) PTPN5HTR7PDK2PGRAR
SCHEMBL17974911 0.72 HTR7 (0.40) PTPN5HTR7PDK2ARRORB
SCHEMBL20724250 0.70 PTPN5 (0.37) PTPN5HTR7FFAR1PTGER4NR1H2
SCHEMBL17974916 0.66 MAOB (0.41) PDK2PGRARFFAR1AKR1C3
SCHEMBL1133453 0.65 PTPN5 (0.69) PTPN5HTR7PDK2PGRAR
SCHEMBL29629090 0.61 HTR7 (0.53) PTPN5HTR7
SCHEMBL17974909 0.61 NR1H2 (0.44) NR1H2
SCHEMBL17974819 0.61 AKT1 (0.40) PDK2
SCHEMBL17974974 0.60 TSHR (0.52) NR1H2
SCHEMBL17974910 0.60 MKNK1 (0.44) PDK2

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-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 — — 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-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B PTPN5 3893/4885HTR7 4395/4885PDK2 3140/4885

“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.

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