SCHEMBL20186007

SCHEMBL20186007

Cc1cc(C)cc(C(=O)C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.52
CES1 P23141 1/20 0.48
ACHE P22303 4/20 0.46
MLYCD O95822 3/20 0.41
CA2 P00918 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40
HPGD P15428 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
C1S P09871 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL12086472 0.89 CES1 (0.43) TPMTCES1ACHEMLYCDCA2
SCHEMBL16449232 0.84 TPMT (0.50) TPMTACHECA2HCAR1HPGD
SCHEMBL17963435 0.82 NQO2 (0.41) CES1ACHEMLYCD
SCHEMBL19457495 0.82 HDAC4 (0.41) TPMTCES1ACHEMLYCD
SCHEMBL30101218 0.82 NQO2 (0.41) CES1ACHEMLYCD
SCHEMBL19268218 0.79 CES1 (0.46) CES1ACHEMLYCD
SCHEMBL312610 0.79 ACHE (0.62) CES1ACHEHPGD
SCHEMBL13543174 0.78 TPMT (0.54) TPMTHCAR1HPGDPRSS1PRSS2
SCHEMBL4190560 0.77 CES1 (0.45) CES1ACHEMLYCDCA2
SCHEMBL3473330 0.77 HCAR2 (0.60) CES1ACHEMLYCD

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
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof APALENE TECHNOLOGY CO., LTD. (HANGZHOU) (CN) 2019-10-15 US disclosed
CN-105797773-B Novel linear alhpa olefin catalyst and its preparation process and purposes 亚培烯科技(杭州)有限公司 2018-11-06 CN disclosed
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF APALENE TECHNOLOGY CO., LTD. (JIAXING) (CN) 2018-05-31 US disclosed
CN-105797774-B Novel linear alhpa olefin catalyst and its preparation and commercial Application 亚培烯科技(嘉兴)有限公司 2018-03-13 CN disclosed
CN-105728045-B Novel linear alhpa olefin catalyst and its preparation method and application 亚培烯科技(嘉兴)有限公司 2017-09-22 CN 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-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF UBE2L3, RNF168, AGL TPMT 4467/4885CES1 3464/4885ACHE 2736/4885
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof UBE2L3, COG8, ACSL3 TPMT 4363/4885CES1 3277/4885ACHE 2780/4885

“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.