SCHEMBL6400937

SCHEMBL6400937

CCCCCCCCCc1cc(C(CC)c2cc(CCCCCCCCC)cc(C(C)(C)c3ccccc3)c2O)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 4/20 0.40
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 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
SCHEMBL6396023 0.90 PTGS2 (0.40) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL19056632 0.88 PTGS2 (0.47) CYP3A4PTGS2CNR2CNR1ESR1
SCHEMBL6393175 0.84 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL6275946 0.83 CYP1A2 (0.42) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL185124 0.83 CYP1A2 (0.37) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL29357051 0.82 HSPA5 (0.44) CYP3A4PTGS2CNR2CNR1ESR1
SCHEMBL39136 0.82 HSPA5 (0.44) CYP3A4PTGS2CNR2CNR1ESR1
SCHEMBL8509815 0.82 PTGS2 (0.44) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL9650102 0.81 KAT8 (0.53) CNR2PPARAPPARGKAT8
SCHEMBL9652690 0.81 KAT8 (0.53) CNR2PPARAPPARGKAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166672-A1 PHOSPHOROUS ESTER COMPOUND, METHOD FOR PRODUCING SAME AND USE APPLICATION FOR SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-05-23 US disclosed
EP-4317166-A1 PHOSPHOROUS ESTER COMPOUND, METHOD FOR PRODUCING SAME, AND USE APPLICATION FOR SAME Sumitomo Chemical Company Limited (JP) 2024-02-07 EP disclosed
US-20050247913-A1 Phosphorous ester compound, process for producing the same, and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-11-10 US disclosed
US-6891006-B2 Yttrium-based ethylene polymerization catalysts with bulky amidinate ancillary ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-05-10 US disclosed
US-20040225145-A1 Process for producing phosphite SUMITOMO CHEMICAL COMPANY, LIMITED 2004-11-11 US disclosed
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-6075159-A USE AS A STABILIZER FOR AN ORGANIC MATERIAL SUCH AS THERMOPLASTIC RESINS, THERMOSETTING RESINS, NATURAL OR SYNTHETIC RUBBERS, MINERAL OILS, LUBRICATING OILS, ADHESIVES AND PAINTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-13 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 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-20240166672-A1 PHOSPHOROUS ESTER COMPOUND, METHOD FOR PRODUCING SAME AND USE APPLICATION FOR SAME EBPL, ACSL6, ACSL3 CYP3A4 1171/4885CYP1A2 2764/4885CYP2C9 1363/4885
US-20040225145-A1 Process for producing phosphite PHOSPHO1, PLCG1, PLCG2 CYP3A4 1993/4885CYP1A2 2006/4885CYP2C9 1692/4885

“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.