SCHEMBL7907529

SCHEMBL7907529

O=C(O)[C@H]1CCCC[C@H]1CO

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.42
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRR1 P24046 4/20 0.38
GABRR2 P28476 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13761134 1.00 PEPD (0.42) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL11447684 1.00 PEPD (0.42) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL9376361 1.00 PEPD (0.42) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL11447685 1.00 PEPD (0.42) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL7908850 0.95 PEPD (0.47) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL29517205 0.85
SCHEMBL18893546 0.79 PEPD (0.41) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL12942860 0.79 PEPD (0.41) PEPDMEN1BLMKMT2A
SCHEMBL22902378 0.79 SLC6A12 (0.43) PEPDMEN1BLMKMT2AGABRR1
SCHEMBL8444542 0.79 EPHX1 (0.50) PEPDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-6207862-B1 PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, BIOCATALYTICS, INC. 2001-03-27 US disclosed
US-5916786-A Method for the production of chiral 1,3-aminoalcohols BIOCATALYTICS, INC. (US) 1999-06-29 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 (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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 PEPD 1240/4885MEN1 4834/4885BLM 2834/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 PEPD 1240/4885MEN1 4834/4885BLM 2834/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS PEPD 1455/4885MEN1 4813/4885BLM 2196/4885

“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.