SCHEMBL23046940

SCHEMBL23046940

CCC(C)c1c(F)ccc(Cl)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ PGR P06401 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 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
SCHEMBL22166119 0.84 TSHR (0.34) TSHRMAPT
SCHEMBL23101917 0.80 HTR2A (0.36) TSHRPGRCA1CA2
SCHEMBL12263315 0.79 MET (0.33) TSHRKDM4E
SCHEMBL23101924 0.78 TSHR (0.31) TSHR
SCHEMBL24021993 0.77 TSHR (0.33) TSHRMAPT
SCHEMBL16590512 0.77 TAAR1 (0.40) TSHRLMNA
SCHEMBL3104509 0.76 PDE2A (0.34) TSHRKDM4ELMNA
SCHEMBL23046939 0.76 MET (0.31) —
SCHEMBL10250747 0.73 TSHR (0.40) TSHRKDM4E
SCHEMBL20354104 0.71 GABRA1 (0.33) —

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-20210139479-A1 COMT Inhibiting Methods and Compositions LIEBER INST INC (US) 2021-05-13 — — US disclosed
US-10934283-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE, INC. (US) 2021-03-02 — — 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-20210139479-A1 COMT Inhibiting Methods and Compositions COMT, PNMT, HNMT TSHR 4590/4885KDM4E 283/4885LMNA 4431/4885
US-10934283-B2 COMT inhibiting methods and compositions COMT, MAOB, MAOA TSHR 4167/4885KDM4E 1351/4885LMNA 2770/4885

“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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