SCHEMBL7643671

SCHEMBL7643671

COc1c(C(C)(C)C)cc(P(CCCP(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C(C)(C)C.COc1c(C(C)(C)C)cc(P(CCP(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.38
DHFR P00374 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNFRSF1A P19438 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
KCNH2 Q12809 1/20 0.30
HTR2A P28223 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
SCHEMBL6251032 0.98 PTGS2 (0.42) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL6251710 0.95 PTGS2 (0.42) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL6248683 0.94 PTGS2 (0.45) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL6249562 0.93 PTGS2 (0.41) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL6246978 0.93 PTGS2 (0.41) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL6248191 0.93 PTGS2 (0.41) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL7638931 0.83 PTGS2 (0.45) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL4457970 0.77 PTGS2 (0.44) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL1305157 0.75 PTGS2 (0.43) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL1304840 0.75 PTGS2 (0.43) PTGS2PTGS1DHFRALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020007094-A1 Method for producing 1-menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-17 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-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 PTGS2 1012/4885PTGS1 402/4885DHFR 2615/4885

“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.