SCHEMBL7127724

SCHEMBL7127724

COC(=O)C(CCCC(F)(F)C(F)(F)F)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.30
MAPK1 P28482 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
APP P05067 1/20 0.30
MME P08473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5356481 0.85 TDP1 (0.45) CA1CA2MEN1KMT2ATSHR
SCHEMBL15705458 0.81 CA1 (0.39) CA1CA2MEN1KMT2AZDHHC7
SCHEMBL11648130 0.80 ZDHHC7 (0.48) CA1CA2MEN1KMT2AZDHHC7
SCHEMBL11650719 0.80 CA1 (0.46) CA1CA2MEN1KMT2AZDHHC7
Hydrochloric Acid SCHEMBL15665182 0.79 CA1 (0.38) CA1CA2MEN1KMT2AZDHHC7
SCHEMBL5854707 0.79 ENPEP (0.32) CA1CA2MEN1KMT2A
SCHEMBL5694365 0.78 ZDHHC7 (0.52) CA1CA2MEN1KMT2AZDHHC7
SCHEMBL5855659 0.78 TDP1 (0.43) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL15670490 0.77 CA1 (0.35) CA1CA2MEN1KMT2ATSHR
SCHEMBL7242957 0.77 FAAH (0.47) CA1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610733-B2 Antiestrogen, therapeutic agent for breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-26 US disclosed
US-20030125571-A1 Optically active chroman and thiochroman derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-03 US disclosed
EP-1241165-A1 OPTICALLY ACTIVE CHROMAN AND THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 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 (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-20030125571-A1 Optically active chroman and thiochroman derivatives NR5A1, CYP19A1, SHBG CA1 697/4885CA2 429/4885MEN1 2252/4885

“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.