SCHEMBL22819337

SCHEMBL22819337

CC(C)c1c(C2CC2)cc(CC(=O)NC2(C(=O)O)CCCCC2)cc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.35
SHMT1 P34896 2/20 0.34
SHMT2 P34897 2/20 0.34
CNR2 P34972 10/20 0.33
CNR1 P21554 4/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 1/20 0.33
HTT P42858 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
SLC18A2 Q05940 1/20 0.33
CXCR2 P25025 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL23242481 0.81 CTSB (0.37) LPAR1SHMT1SHMT2CNR2CNR1
SCHEMBL22802601 0.79 SHMT1 (0.33) LPAR1SHMT1SHMT2CNR2CNR1
SCHEMBL29045057 0.78 PTGDR2 (0.38) LPAR1SHMT1SHMT2CNR2CNR1
SCHEMBL23242486 0.77 CTSB (0.40) SHMT1SHMT2CNR2CNR1ALDH1A1
SCHEMBL29966992 0.77 CTSB (0.40) SHMT1SHMT2CNR2CNR1ALDH1A1
SCHEMBL23265267 0.76 CTSB (0.39) SHMT1SHMT2CNR2CNR1ALDH1A1
SCHEMBL22802604 0.76 ALDH1A1 (0.35) LPAR1SHMT1SHMT2CNR2CNR1
SCHEMBL23265385 0.74 SHMT1 (0.38) SHMT1SHMT2CNR2CNR1ALDH1A1
SCHEMBL13502664 0.73 CNR2 (0.42) SHMT1SHMT2CNR2CNR1ALDH1A1
SCHEMBL23242482 0.72 MAPT (0.40) CNR2ALDH1A1CTSBCTSSEPHX2

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-11641857-B2 Unusually potent ABA receptor pan-antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20200397000-A1 UNUSUALLY POTENT ABA RECEPTOR PAN-ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-24 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-20200397000-A1 UNUSUALLY POTENT ABA RECEPTOR PAN-ANTAGONISTS AAK1, ATP5PO, BROX LPAR1 871/4885SHMT1 2858/4885SHMT2 3159/4885
US-11641857-B2 Unusually potent ABA receptor pan-antagonists AAK1, ATP5PO, BROX LPAR1 871/4885SHMT1 2858/4885SHMT2 3159/4885

“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.