SCHEMBL971387

SCHEMBL971387

CC(C)CCC[CH]CCCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HIF1A Q16665 2/20 0.33
EPAS1 Q99814 2/20 0.33
KDM1A O60341 1/20 0.31
PTPN1 P18031 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL286602 0.97 LMNA (0.46) LMNAHIF1AEPAS1
SCHEMBL9051389 0.94 LMNA (0.48) LMNAHIF1AEPAS1KDM1APTPN1
SCHEMBL11593566 0.94 LMNA (0.48) LMNAHIF1AEPAS1KDM1APTPN1
SCHEMBL8858237 0.94 LMNA (0.48) LMNAHIF1AEPAS1KDM1APTPN1
SCHEMBL7067432 0.94 LMNA (0.48) LMNAHIF1AEPAS1KDM1APTPN1
SCHEMBL11444896 0.94 LMNA (0.48) LMNAHIF1AEPAS1KDM1APTPN1
SCHEMBL16872425 0.94 LMNA (0.48) LMNAHIF1AEPAS1KDM1APTPN1
SCHEMBL6905821 0.94 LMNA (0.48) LMNAHIF1AEPAS1KDM1APTPN1
SCHEMBL21219896 0.94 LMNA (0.48) LMNAHIF1AEPAS1KDM1APTPN1
SCHEMBL28868791 0.94 LMNA (0.45) LMNAKDM1APTPN1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149479-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2015-10-06 US disclosed
US-8557991-B2 Process for preparing enantiomerically pure indolopyridines 4SC AG (DE) 2013-10-15 US disclosed
US-8044065-B2 Benzothienopyridines for use as inhibitors of Eg5 kinesin ALTANA PHARMA AG (DE) 2011-10-25 US disclosed
US-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 US disclosed
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 US disclosed
US-8003798-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2011-08-23 US disclosed
EP-2268644-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
EP-1797098-B1 3-OXA-10-AZA-PHENANTHRENES AS PDE4 OR PDE3/4 INHIBITORS NYCOMED GMBH (DE) 2011-05-04 EP disclosed
US-20110077404-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE INDOLOPYRIDINES 4SC AG (DE) 2011-03-31 US disclosed
US-20110027226-A1 INDOLOPYRIDINES AS INHIBITORS OF THE KINESIN SPINDLE PROTEIN (EG5) 4SC AG (DE) 2011-02-03 US disclosed
EP-1075477-A1 NOVEL N-OXIDES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-02-14 EP disclosed
EP-1075476-A1 NOVEL BENZIMIDAZOLES AND BENZOXAZOLES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-02-14 EP disclosed
WO-2000012501-A1 BENZONAPHTHYRIDINE-N-OXIDES COMPRISING A PDE3 AND PDE4 INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-09 WO disclosed
WO-1999064414-A1 BENZAMIDES WITH TETRAHYDROFURANYLOXY SUBSTITUTENTS AS PHOSPHODIESTERASE 4 INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-16 WO disclosed
WO-1999057118-A1 NOVEL N-OXIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-11-11 WO disclosed
WO-1999057115-A1 NOVEL BENZIMIDAZOLES AND BENZOXAZOLES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-11-11 WO disclosed
EP-0228959-B1 AMINOSTYRYL COMPOUND, LEUKOTRIENE ANTAGONISTIC COMPOSITION CONTAINING THE SAME AS EFFECTIVE INGREDIENTS AND METHOD OF ANTAGONIZING SRS BY EMPLOYING THE SAME MITSUBISHI KASEI CORPORATION (JP) 1992-03-18 EP disclosed
US-4749701-A Aminostyryl compound, leukotriene antagonistic composition containing the same as effective ingredients and method of antagonizing SRS by employing the same MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1988-06-07 US disclosed
EP-0228959-A2 Aminostyryl compound, leukotriene antagonistic composition containing the same as effective ingredients and method of antagonizing SRS by employing the same MITSUBISHI KASEI CORPORATION (JP) 1987-07-15 EP disclosed
US-4338315-A RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 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 (4 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-20110077404-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE INDOLOPYRIDINES GRIK5, CYP3A5, GRK5 LMNA 3580/4885HIF1A 4355/4885EPAS1 1893/4885
US-20110027226-A1 INDOLOPYRIDINES AS INHIBITORS OF THE KINESIN SPINDLE PROTEIN (EG5) KIF5A, KIF5C, KIF5B LMNA 2432/4885HIF1A 4717/4885EPAS1 3938/4885
US-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C LMNA 4157/4885HIF1A 3248/4885EPAS1 211/4885
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C LMNA 4157/4885HIF1A 3248/4885EPAS1 211/4885

“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.