SCHEMBL18840596

SCHEMBL18840596

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nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
FGFR4 P22455 1/20 0.30
TRPA1 O75762 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
SCHEMBL17211987 0.81 ALDH1A1 (0.45) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL20202274 0.81 ALDH1A1 (0.45) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL560356 0.79 ALDH1A1 (0.43) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL11801788 0.79 ALDH1A1 (0.43) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL553887 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL4528380 0.75
SCHEMBL10380928 0.75
SCHEMBL12216199 0.74
SCHEMBL2554774 0.73 ALDH1A1 (0.38) ALDH1A1
Methacrylic Acid SCHEMBL30110651 0.73 ALDH1A1 (0.38) ALDH1A1TSHRTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744180-B2 Pharmaceutical formulations containing mitochondrially targeted antioxidants MITOTECH SA (LU) 2017-08-29 US disclosed
US-9724313-B2 Pharmaceutical composition for use in medical and veterinary ophthalmology MITOTECH SA (LU) 2017-08-08 US disclosed
US-20170128467-A1 ANTIMICROBIAL PHARMACEUTICAL COMPOSITIONS WITH MULTIPLE DRUG RESISTANCE INHIBITING PROPERTIES MITOTECH, S. A. (LU) 2017-05-11 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-20170128467-A1 ANTIMICROBIAL PHARMACEUTICAL COMPOSITIONS WITH MULTIPLE DRUG RESISTANCE INHIBITING PROPERTIES SLC11A2, CFTR, ABCC1 ALDH1A1 3272/4885TSHR 4214/4885TP53 3521/4885

“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.