SCHEMBL1962624

SCHEMBL1962624

O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)c2cc(C(=O)Cl)cc(C(=O)Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ SRD5A2 P31213 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ FASN P49327 1/20 0.35

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
SCHEMBL38576 0.90 ALDH1A1 (0.40) TDP1ATML3MBTL1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL18918955 0.87 ALDH1A1 (0.39) TDP1ATML3MBTL1ALDH1A1TSHR
SCHEMBL28506897 0.85 ATM (0.67) TDP1ATML3MBTL1ALDH1A1MEN1
Ethane SCHEMBL29138437 0.84 ALDH1A1 (0.37) TDP1ATML3MBTL1ALDH1A1TSHR
SCHEMBL29201943 0.84 ALDH1A1 (0.37) TDP1ATML3MBTL1ALDH1A1TSHR
Benzene SCHEMBL28576976 0.84 TDP1 (0.43) TDP1ATML3MBTL1ALDH1A1POLB
Cyclohexane SCHEMBL27887761 0.81 ALDH1A1 (0.36) TDP1ATML3MBTL1ALDH1A1TSHR
SCHEMBL8060297 0.81 ALDH1A1 (0.36) TDP1ATML3MBTL1ALDH1A1TSHR
Acetone SCHEMBL28498158 0.81 LMNA (0.38) TDP1ATML3MBTL1ALDH1A1MEN1
SCHEMBL14829821 0.79 TPMT (0.55) TDP1ALDH1A1TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
EP-2307520-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2015-11-11 — — EP disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — US disclosed
WO-2010006680-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-01-21 — — WO 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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 TDP1 2195/4885ATM 3275/4885L3MBTL1 2095/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 TDP1 2195/4885ATM 3275/4885L3MBTL1 2095/4885

“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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