SCHEMBL6288593

SCHEMBL6288593

ClP(Cl)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
TAAR1 Q96RJ0 2/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MGLL Q99685 1/20 0.39
KIF11 P52732 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ESR2 Q92731 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALOX5 P09917 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL8035484 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2TAAR1CYP3A4TDP1
SCHEMBL28067265 0.82 TDP1 (0.53) ALDH1A1CYP1A2CYP3A4TDP1MAPK1
SCHEMBL246946 0.82
SCHEMBL21518321 0.79 TDP1 (0.50) ALDH1A1CYP1A2CYP3A4TDP1MAPK1
SCHEMBL28208589 0.79 TDP1 (0.50) ALDH1A1CYP1A2CYP3A4TDP1MAPK1
Phosphine SCHEMBL28842294 0.79 TDP1 (0.50) ALDH1A1CYP1A2CYP3A4TDP1MAPK1
SCHEMBL3838680 0.79 TDP1 (0.50) ALDH1A1CYP1A2CYP3A4TDP1MAPK1
Hydrochloric Acid SCHEMBL22230523 0.79 TDP1 (0.50) ALDH1A1CYP1A2CYP3A4TDP1MAPK1
SCHEMBL29126140 0.79 TDP1 (0.50) ALDH1A1CYP1A2CYP3A4TDP1MAPK1
SCHEMBL27914446 0.79 TDP1 (0.50) ALDH1A1CYP1A2CYP3A4TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162890-A1 Phosphepine Matrix Compound for a Semiconducting Material NOVALED GMBH (DE) 2018-06-14 US disclosed
WO-2016207224-A1 PHOSPHEPINE MATRIX COMPOUND FOR A SEMICONDUCTING MATERIAL NOVALED GMBH (DE) 2016-12-29 WO disclosed
US-8865321-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
US-8865321-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
EP-2344607-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-04-10 EP disclosed
US-20110201778-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2011-08-18 US disclosed
US-20110201778-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2011-08-18 US disclosed
WO-2010054730-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-05-20 WO disclosed
US-6864304-B2 Phosphorus compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2005-03-08 US disclosed
US-20020137820-A1 Phosphorus compounds SANDOZ LTD. (CH) 2002-09-26 US disclosed
US-6369140-B1 POLYOLEFIN AND PHOSPHINE OR PHOSPHORANE COMPOUNDS STABILIZERS; OXIDATION, HEAT, STRESS, AND ULTRAVIOLET RADIATION RESISTANCE CLARIANT FINANCE (BVI) LIMITED (BV) 2002-04-09 US disclosed
US-4999393-A Light and heat resistance; stabilizers with antioxidants ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-03-12 US disclosed
US-4668823-A ARYLDICHLOROPHOSPHINE, TWO GRIGNARDS UNION CARBIDE CORPORATION (US) 1987-05-26 US disclosed
US-4082793-A AROMATIC PHOSPHINIC ACIDS CONTAINING SULFONE LINKAGE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-04-04 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 (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-20110201778-A1 Organic Electroluminescent Devices L1CAM, PIEZO1, OR10J3 ALDH1A1 56/4885CYP1A2 893/4885TAAR1 600/4885
US-20180162890-A1 Phosphepine Matrix Compound for a Semiconducting Material HRH3, HRH4, HRH1 ALDH1A1 2126/4885CYP1A2 1994/4885TAAR1 49/4885

“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.