SCHEMBL15835698

SCHEMBL15835698

CC(Cl)C(Cl)C(Cl)C(Cl)C(C)Cl

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL23788177 1.00 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1TDP1
SCHEMBL16116610 1.00 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1TDP1
SCHEMBL5531493 1.00 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1TDP1
SCHEMBL20174107 1.00 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1TDP1
SCHEMBL5201267 0.82 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1TDP1
Ammonia Solution, Strong SCHEMBL1467329 0.80
SCHEMBL7871131 0.76
SCHEMBL7924495 0.74 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1TDP1
SCHEMBL9841402 0.72
SCHEMBL7109936 0.72

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-20140179936-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM AEL MINING SERVICES LIMITED (ZA) 2014-06-26 US disclosed
US-20140179936-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM AEL MINING SERVICES LIMITED (ZA) 2014-06-26 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-20140179936-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM GK, UGCG, GYPA ALDH1A1 450/4885TSHR 3174/4885MAPK1 3711/4885

“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.