SCHEMBL2197798

SCHEMBL2197798

BrCCCC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 3/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL2198455 0.94 EPHX1 (0.45) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL2198239 0.93
SCHEMBL20597382 0.92 EPHX1 (0.48) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL5361321 0.92 EPHX1 (0.48) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL7786789 0.92 EPHX1 (0.48) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL2199616 0.87 EPHX1 (0.47) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL963751 0.86
SCHEMBL28424604 0.86
SCHEMBL15822139 0.86 EPHX1 (0.48) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL10743755 0.84 HPGD (0.36) EPHX1LMNAPOLBUSP2SMN1; SMN2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
EP-2125792-B1 PURINE DERIVATIVES AS IMMUNOMODULATORS GLAXOSMITHKLINE LLC (US) 2010-12-01 EP disclosed
US-6258822-B1 ENZYME INHIBITORS OF NAPHTHALENE AMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-07-10 US disclosed
EP-1000018-A2 UROKINASE INHIBITORS Abbott Laboratories (US) 2000-05-17 EP disclosed
WO-1999005096-A2 UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 1999-02-04 WO disclosed
EP-0623127-B1 NOVEL NEUROTRANSMITTER RELEASERS USEFUL FOR COGNITION ENHANCEMENT DU PONT MERCK PHARMA (US) 1997-04-02 EP disclosed
US-5532247-A ACENAPHTHENES SUBSTITUTED IN THE 1-POSITION BY PYRIDYLMETHYL OR FLUOROPYRIDYLMETHYL; TREATING COGNITIVE OR NEUROLOGICAL DYSFUNCTION THEREWITH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US disclosed
US-5414004-A Cognitive activators and nervous system disorders THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-05-09 US disclosed
EP-0623127-A1 NOVEL NEUROTRANSMITTER RELEASERS USEFUL FOR COGNITION ENHANCEMENT. DU PONT MERCK PHARMA (US) 1994-11-09 EP disclosed
WO-1993014085-A1 NOVEL NEUROTRANSMITTER RELEASERS USEFUL FOR COGNITION ENHANCEMENT THE DU PONT MERK PHARMACEUTICAL COMPANY (US) 1993-07-22 WO disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 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 (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-20120283438-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R EPHX1 372/4885LMNA 4732/4885POLB 2926/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R EPHX1 372/4885LMNA 4732/4885POLB 2926/4885

“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.