SCHEMBL1304740

SCHEMBL1304740

COc1c(C(C)(C)C)cc(Br)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
PTGS1 P23219 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
TNFRSF1A P19438 2/20 0.39
HSD17B10 Q99714 1/20 0.38
DHFR P00374 1/20 0.38
CA4 P22748 1/20 0.38
ALOX15 P16050 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
ERBB2 P04626 2/20 0.35
EGFR P00533 1/20 0.35
ADRA2A P08913 1/20 0.34

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
SCHEMBL1530698 0.89 HSD17B10 (0.47) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL14112766 0.87 ALOX15 (0.44) PTGS2ALDH1A1TSHRTDP1CA2
SCHEMBL7968046 0.87 PTGS2 (0.41) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL12678876 0.86 PTGS2 (0.40) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL1730807 0.86 PTGS2 (0.40) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL28939024 0.83 PTGDR2 (0.37) PTGS2ALDH1A1TSHRTDP1CA2
SCHEMBL1542335 0.82 PTGS2 (0.38) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL1764339 0.81 PTGS2 (0.37) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL1542282 0.81 ERN1 (0.47) PTGS2ALDH1A1TSHRTDP1CA2
SCHEMBL6832664 0.81 PTGS2 (0.37) PTGS2PTGS1ALDH1A1TSHRTDP1

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113603572-B Preparation method of 2, 6-di-tert-butyl-4-bromoanisole 黑龙江立科新材料有限公司 2024-03-12 CN claimed
CN-113603572-A Preparation method of 2, 6-di-tert-butyl-4-bromoanisole 黑龙江立科新材料有限公司 2021-11-05 CN claimed
CN-115340503-B Synthesis method and application of chiral semicorrinoid compound 四川师范大学 2024-12-24 CN disclosed
US-20240209127-A1 NEW METALLOCENE CATALYST AND USE THEREOF TOTALENERGIES ONETECH BELGIUM (BE) 2024-06-27 US disclosed
US-20240209127-A1 NEW METALLOCENE CATALYST AND USE THEREOF TOTALENERGIES ONETECH BELGIUM (BE) 2024-06-27 US disclosed
US-20240209127-A1 NEW METALLOCENE CATALYST AND USE THEREOF TOTALENERGIES ONETECH BELGIUM (BE) 2024-06-27 US disclosed
EP-4347667-A1 NEW METALLOCENE CATALYST AND USE THEREOF TotalEnergies OneTech Belgium (BE) 2024-04-10 EP disclosed
CN-113603572-B Preparation method of 2, 6-di-tert-butyl-4-bromoanisole 黑龙江立科新材料有限公司 2024-03-12 CN disclosed
CN-113603572-B Preparation method of 2, 6-di-tert-butyl-4-bromoanisole 黑龙江立科新材料有限公司 2024-03-12 CN disclosed
CN-113603572-B Preparation method of 2, 6-di-tert-butyl-4-bromoanisole 黑龙江立科新材料有限公司 2024-03-12 CN disclosed
CN-117396523-A Novel metallocene catalysts and their use 道达尔能源一技术比利时公司 2024-01-12 CN disclosed
US-7208633-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-7135582-B2 Transition metal complex having diphosphine compound as ligand TAKEDA PHARMACEUTIACAL COMPANY LIMITED (JP) 2006-11-14 US disclosed
US-20060094887-A1 Transition metal complex having diphosphine compound as ligand SPERA PHARMA, INC. (JP) 2006-05-04 US disclosed
EP-1568701-A1 TRANSITION METAL COMPLEX HAVING DIPHOSPHINE COMPLEX AS LIGAND Takeda Pharmaceutical Company Limited (JP) 2005-08-31 EP disclosed
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process SPERA PHARMA, INC. (JP) 2005-02-03 US disclosed
EP-1452537-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS Takeda Chemical Industries, Ltd. (JP) 2004-09-01 EP disclosed
EP-0540108-B1 Catalyst composition SHELL INT RESEARCH (NL) 1996-01-03 EP disclosed
US-5279999-A Catalyst composition SHELL OIL COMPANY (US) 1994-01-18 US disclosed
EP-0540108-A1 Catalyst composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-05-05 EP 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-20060094887-A1 Transition metal complex having diphosphine compound as ligand TERT, AP1M1, AP2M1 PTGS2 4163/4885PTGS1 4316/4885ALDH1A1 4339/4885
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process H1-10, ITPA, RER1 PTGS2 3590/4885PTGS1 3254/4885ALDH1A1 4580/4885

“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.