SCHEMBL20315005

SCHEMBL20315005

C=C(CCC)C(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FFAR3 O14843 3/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.34
CTSD P07339 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 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
SCHEMBL31298525 0.82 HDAC3 (0.33) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL20315181 0.80 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20314923 0.79
SCHEMBL25762271 0.78 TSHR (0.31) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL10308719 0.78 ALDH1A1 (0.48) TSHRALDH1A1LMNAGABRPGABRD
SCHEMBL10308373 0.78 GABRP (0.30) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3476792 0.75 LMNA (0.44) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL25762119 0.74
SCHEMBL106834 0.74 CES2 (0.58) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL8344028 0.73 FFAR3 (0.37) CES2CES1HDAC3HDAC1HDAC2

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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR CES2 2775/4885CES1 3150/4885HDAC3 2618/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CES2 4882/4885CES1 2554/4885HDAC3 4396/4885

“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.