SCHEMBL23969819

SCHEMBL23969819

Cc1c(Cl)c(O)c(C(C)C)c(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
HTR2B P41595 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 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
SCHEMBL23867803 0.86 GABRA1 (0.33) GABRA1GABRB1FAAHCA1CA2
SCHEMBL23569132 0.82 TSHR (0.47) GABRA1GABRB1FAAHCA1CA2
SCHEMBL5589022 0.82 GABRA1 (0.40) GABRA1GABRB1FAAHCA1CA2
SCHEMBL23848702 0.81 GABRA1 (0.33) GABRA1GABRB1
SCHEMBL24599548 0.81 GABRA1 (0.33) GABRA1GABRB1
SCHEMBL24462738 0.80 GABRA1 (0.30) GABRA1GABRB1
SCHEMBL23867806 0.80 GABRA1 (0.30) GABRA1GABRB1
SCHEMBL23848688 0.80 GABRA1 (0.30) GABRA1GABRB1
SCHEMBL23969822 0.76 GABRA1 (0.30) GABRA1GABRB1
SCHEMBL23848380 0.74

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-11345701-B1 KRAS mutant protein inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-05-31 US disclosed
US-11161847-B2 KRAS mutant protein inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-11-02 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-11161847-B2 KRAS mutant protein inhibitors KRAS, NRAS, APC GABRA1 4155/4885GABRB1 3996/4885FAAH 3321/4885
US-11345701-B1 KRAS mutant protein inhibitors KRAS, NRAS, APC GABRA1 4155/4885GABRB1 3996/4885FAAH 3321/4885

“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.