SCHEMBL8766718

SCHEMBL8766718

O=C(CCl)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.67
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HPGD P15428 3/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 2/20 0.57
GSK3B P49841 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
TRPA1 O75762 1/20 0.57
HIF1A Q16665 1/20 0.57
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 1/20 0.53
MEN1 O00255 1/20 0.52
EGFR P00533 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL30354087 1.00 PTPN1 (0.67) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL11253655 0.85 SMN1; SMN2 (0.67) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL1974978 0.83 PTPN1 (0.71) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL29489791 0.83 PTPN1 (0.71) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL6339905 0.82 LCK (0.58) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL10971761 0.82 HDAC1 (0.63) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL1448153 0.82 PTPN1 (0.69) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL28345275 0.82 PTPN1 (0.69) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL30375368 0.82 PTPN1 (0.69) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL22570671 0.81 PTPN1 (0.54) PTPN1CES2CES1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023202-A Synthetic method of alpha-chlorarone derivative 西南大学 2023-04-28 CN disclosed
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8481446-B2 Chemically-resistant coating composition VENTANA RESEARCH CORPORATION 2013-07-09 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed
US-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-11-24 US disclosed
US-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-11-24 US disclosed
EP-2325178-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-05-25 EP disclosed
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION VENTANA RESEARCH CORPORATION 2010-11-04 US disclosed
WO-2010013510-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND ダイソー株式会社 (JP) 2010-02-04 WO disclosed
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed
US-4631280-A Pyridazine derivatives having a psychotropic action, and medicaments in which they are present SANOFI (FR) 1986-12-23 US disclosed
US-4565814-A Pyridazine derivatives having a psychotropic action and compositions SANOFI (FR) 1986-01-21 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-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND CYP51A1, KMO, TALDO1 PTPN1 4327/4885CES2 663/4885CES1 106/4885
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION DNMT1, VCL, DNMT3L PTPN1 2678/4885CES2 1398/4885CES1 3845/4885

“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.