SCHEMBL7076593

SCHEMBL7076593

C=CCCCCCC(CCCCCCC(F)(F)C(F)(F)F)(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
ACLY P53396 1/20 0.36
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL7071750 1.00 ABCC4 (0.43) ABCC4MAPTALDH1A1LMNAACLY
SCHEMBL27039983 0.88 MAPT (0.54) ABCC4MAPTALDH1A1LMNAACLY
SCHEMBL4017942 0.86 MAPT (0.50) ABCC4MAPTALDH1A1LMNAACLY
SCHEMBL9789270 0.84 TSHR (0.42) ABCC4MAPTALDH1A1LMNALPAR2
SCHEMBL9789360 0.84 TSHR (0.42) ABCC4MAPTALDH1A1LMNALPAR2
SCHEMBL4013371 0.82 MAPT (0.48) ABCC4MAPTALDH1A1LMNAACLY
SCHEMBL2135399 0.80 ALDH1A1 (0.38) ABCC4MAPTALDH1A1LMNATSHR
SCHEMBL16421159 0.79 TSHR (0.57) ABCC4MAPTALDH1A1LMNAACLY
SCHEMBL17954034 0.79 ACLY (0.46) ABCC4MAPTALDH1A1LMNAACLY
SCHEMBL21168183 0.79 MAPT (0.71) ABCC4MAPTALDH1A1LMNATSHR

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-6555571-B2 Hormone inhibitor; sexual disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-29 US disclosed
EP-1240156-A4 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-04-16 EP disclosed
US-20030013756-A1 3-methyl -chromane or thiochromane derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-01-16 US disclosed
EP-1240156-A1 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
WO-2001042237-A1 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-06-14 WO 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-20030013756-A1 3-methyl -chromane or thiochromane derivatives ESR2, GPER1, NR5A1 ABCC4 1460/4885MAPT 2698/4885ALDH1A1 3000/4885

“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.