SCHEMBL21758083

SCHEMBL21758083

CC(C)(BCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ TRPA1 O75762 1/20 0.30
▸ CALM1 P0DP23 1/20 0.30

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
SCHEMBL21758081 0.79 TP53 (0.34) TDP1TP53TSHR
SCHEMBL14489030 0.76 KIF11 (0.38) SLC6A2TAAR1TDP1CYP2D6LMNA
SCHEMBL14489021 0.76 CACNA1G (0.40) SLC6A2TAAR1LMNA
SCHEMBL15314683 0.76 TAAR1 (0.40) SLC6A2TAAR1TDP1CYP2D6LMNA
SCHEMBL21758079 0.74 TP53 (0.31) TP53
SCHEMBL18265910 0.73 SMN1; SMN2 (0.39) TAAR1LMNA
SCHEMBL14559163 0.73 KIF11 (0.41) TAAR1TP53CYP1A2
SCHEMBL21758080 0.69 — —
SCHEMBL21758137 0.67 — —
SCHEMBL20344216 0.67 MEN1 (0.42) TAAR1LMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062783-A1 PHOTO LEWIS ACID GENERATOR NIPPON SHOKUBAI CO., LTD. (JP) 2020-02-27 — — 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-20200062783-A1 PHOTO LEWIS ACID GENERATOR LEO1, LRRK2, LSG1 SLC6A2 709/4885TAAR1 2255/4885TDP1 4131/4885

“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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