SCHEMBL26016289

SCHEMBL26016289

C=C(/C=C\C(=C)c1cccc(F)c1)CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ PTGS1 P23219 2/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL24914456 0.76 CES2 (0.47) CES2CES1HDAC6HDAC1PTGS1
SCHEMBL12221568 0.71 CES2 (0.55) CES2CES1HDAC6HDAC1PARP1
SCHEMBL12831681 0.70 CES2 (0.52) CES2CES1HDAC6HDAC1PTGS1
SCHEMBL20893166 0.69 PTGS1 (0.40) CES2CES1HDAC6HDAC1PTGS1
SCHEMBL16230721 0.69 CES2 (0.50) CES2CES1HDAC6HDAC1PTGS1
SCHEMBL13059672 0.69 CES2 (0.55) CES2CES1HDAC6HDAC1PTGS1
SCHEMBL20467598 0.69 CES2 (0.50) CES2CES1HDAC6HDAC1PTGS1
SCHEMBL6862739 0.66 CES2 (0.56) CES2CES1HDAC6HDAC1PTGS1
SCHEMBL28863383 0.65 CES2 (0.60) CES2CES1HDAC6HDAC1PTGS1
SCHEMBL14192031 0.65 CES2 (0.50) CES2CES1HDAC6HDAC1PTGS1

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-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — 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-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 CES2 1295/4885CES1 1785/4885HDAC6 67/4885

“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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