SCHEMBL2181990

SCHEMBL2181990

Cl/C=C\c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TTR P02766 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.45
PKM P14618 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALPL P05186 1/20 0.45
GLA P06280 1/20 0.45
ALPG P10696 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL672680 1.00 TDP1 (0.58) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL29444183 1.00 TDP1 (0.58) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL672679 1.00 TDP1 (0.58) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL11454521 0.83 TDP1 (0.60) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL1689789 0.81 TDP1 (0.58) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL1689790 0.81 TDP1 (0.58) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL16955146 0.81 TP53 (0.46) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL8580636 0.80 TDP1 (0.62) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL25408764 0.80 MAPT (0.40) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL10322591 0.79 TDP1 (0.56) TDP1MAPTALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889029-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP claimed
WO-2006125647-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO claimed
US-20140162906-A1 Pesticide Biomarker NAGY JON OWEN (US) 2014-06-12 US disclosed
US-20110166043-A1 BIOMARKER DETECTION-2 ATERIS TECHNOLOGIES, LLC 2011-07-07 US disclosed
US-20100041077-A1 PESTICIDE BIOMARKER ATERIS TECHNOLOGIES, LLC 2010-02-18 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-20110166043-A1 BIOMARKER DETECTION-2 CPB2, NAALAD2, PRSS2 TDP1 2173/4885MAPT 3923/4885ALDH1A1 1052/4885

“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.