SCHEMBL6326356

SCHEMBL6326356

O=C(Cl)OOC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CYP2C19 P33261 1/20 0.33
NAAA Q02083 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 1/20 0.32
STS P08842 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
EPHX2 P34913 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 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
SCHEMBL22733772 0.80 EPHX1 (0.40) EPHX1CES2CES1CA1CA2
SCHEMBL7106072 0.78 EPHX1 (0.39) EPHX1CES2CES1CA1CA2
SCHEMBL7015517 0.78 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
SCHEMBL6507671 0.78 EPHX1 (0.39) EPHX1CES2CES1CA1CA2
SCHEMBL29525024 0.77 EPHX1 (0.37) EPHX1CES2CES1CA1CA2
SCHEMBL21381 0.76 EPHX1 (0.39) EPHX1CES2CES1CA1CA2
SCHEMBL19729048 0.75 EPHX1 (0.50) EPHX1CES2CES1CA1CA2
SCHEMBL7755982 0.75 EPHX1 (0.50) EPHX1CES2CES1CA1CA2
SCHEMBL5836570 0.75 EPHX1 (0.50) EPHX1CES2CES1CA1CA2
SCHEMBL82977 0.75 EPHX1 (0.50) EPHX1CES2CES1CA1CA2

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-20050250844-A1 Methods of treating cancer using C-4 carbonate taxanes BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 US disclosed
US-6916942-B2 Process for the preparation of C-4 carbonate taxanes BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 US disclosed
US-20040225009-A1 Process for the preparation of C-4 carbonate taxanes BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 US disclosed
EP-1251846-B1 C-4 CARBONATE TAXANES BRISTOL MYERS SQUIBB CO (US) 2004-08-11 EP disclosed
US-6750246-B1 NOVEL ORALLY ACTIVE PACLITAXEL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2004-06-15 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 (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-20050250844-A1 Methods of treating cancer using C-4 carbonate taxanes CA4, CA14, CA13 EPHX1 3959/4885CES2 1635/4885CES1 1127/4885
US-20040225009-A1 Process for the preparation of C-4 carbonate taxanes CA4, CA14, CDK4 EPHX1 3898/4885CES2 2923/4885CES1 1698/4885

“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.