SCHEMBL7697369

SCHEMBL7697369

CN(C)c1c(F)cc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ERN1 O75460 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
RIPK1 Q13546 3/20 0.32
HTT P42858 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL23252547 0.83
SCHEMBL3842791 0.83 SLC6A2 (0.30)
SCHEMBL14553801 0.80 ALDH1A1 (0.36) ALDH1A1RAPGEF4
SCHEMBL21279544 0.78 ALDH1A1 (0.33) ALDH1A1ERN1RAPGEF4RIPK1HTT
SCHEMBL12463743 0.78 ERN1 (0.38) ALDH1A1ERN1RIPK1
SCHEMBL23252538 0.76 RIPK1 (0.32) RIPK1
SCHEMBL4301635 0.75 ERN1 (0.37) ALDH1A1ERN1RAPGEF4CES2CES1
SCHEMBL18387992 0.74 RIPK1 (0.36) ALDH1A1ERN1RIPK1
SCHEMBL17278001 0.73 ERN1 (0.39) ALDH1A1ERN1RIPK1HTT
SCHEMBL2097006 0.72 ERN1 (0.33) ERN1RIPK1HTTCES2CES1

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
CN-107592863-A Chromium complex and olefin oligomerization catalyst therefrom with the part containing phosphorus ring 陶氏环球技术有限责任公司 2018-01-16 CN disclosed
CN-107567355-A The part containing phosphorus ring and olefin oligomerization catalyst therefrom for chromium complex 陶氏环球技术有限责任公司 2018-01-09 CN disclosed
CN-107548385-A Olefin oligomerization process using catalyst comprising chromium complex with phosphacycle-containing ligand 陶氏环球技术有限责任公司 2018-01-05 CN disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
US-6337297-B1 CHROMIUM CATALYST FOR TRIMERIZATION OF ETHYLENE WITH MULTIDENTATE LIGAND OR HALOGEN, CARBOXY GROUP TOSOH CORPORATION (JP) 2002-01-08 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-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF ICOS, CD4, CD2 ALDH1A1 2055/4885ERN1 4503/4885RAPGEF4 2894/4885

“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.