SCHEMBL5353749

SCHEMBL5353749

C=CCCCCCCCC(CCCC(F)(F)C(F)(F)F)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 5/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6936029 1.00 LMNA (0.39) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL5352192 0.99 MEN1 (0.39) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL7236425 0.99 LMNA (0.40) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL7225770 0.91 LMNA (0.36) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL7225893 0.90 LMNA (0.37) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL5354722 0.86 MEN1 (0.35) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL7220486 0.86 MEN1 (0.35) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL4018595 0.84 MEN1 (0.50) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL5857559 0.83 CYP4F2 (0.55) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL5353382 0.82 MEN1 (0.41) ALDH1A1MEN1KMT2ACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196081-B2 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-03-27 US disclosed
US-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-01 US disclosed
US-6737417-B2 AN ANTIESTROGENIC AGENT CONTAININING AROMATIC OR HETEROAROMATIC COMPOUNDS CONTAINING HYDROXYCARBONYL OR METAL SALT- HALOGENOALKYL SIDE CHAIN; USEFUL FOR TREATING BREAST CANCER CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-18 US disclosed
EP-1361205-A1 Compounds with hydroxycarbonyl-halogenalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-12 EP disclosed
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-10 US disclosed
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-06-19 US disclosed
EP-1241158-A1 COMPOUND HAVING HYDROXYCARBONYL-HALOGENOALKYL SIDE CHAIN 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 (3 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-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CYP19A1, HSD17B11, SHBG LMNA 1371/4885ALDH1A1 465/4885MEN1 690/4885
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain HSD17B11, CYP19A1, SHBG LMNA 1711/4885ALDH1A1 430/4885MEN1 1264/4885
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains HSD17B11, CYP19A1, SHBG LMNA 1719/4885ALDH1A1 449/4885MEN1 1147/4885

“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.