SCHEMBL497572

SCHEMBL497572

CC1(C2CCCC2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.40
GAA P10253 1/20 0.37
CYP11B2 P19099 1/20 0.33
CYP19A1 P11511 1/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL7132308 1.00 LIPA (0.40) LIPAGAACYP11B2CYP19A1LMNA
SCHEMBL15261953 1.00 LIPA (0.40) LIPAGAACYP11B2CYP19A1LMNA
SCHEMBL2568051 1.00 LIPA (0.40) LIPAGAACYP11B2CYP19A1LMNA
SCHEMBL11324326 0.97 LIPA (0.39) LIPAGAACYP11B2CYP19A1LMNA
SCHEMBL10452360 0.97 LIPA (0.39) LIPAGAACYP11B2CYP19A1LMNA
SCHEMBL23885014 0.97 LIPA (0.39) LIPAGAACYP11B2CYP19A1LMNA
SCHEMBL8189314 0.97 LIPA (0.39) LIPAGAACYP11B2CYP19A1LMNA
SCHEMBL6814313 0.97 LIPA (0.39) LIPAGAACYP11B2CYP19A1LMNA
SCHEMBL1297508 0.97 LIPA (0.39) LIPAGAACYP11B2CYP19A1LMNA
SCHEMBL143111 0.97 LIPA (0.39) LIPAGAACYP11B2CYP19A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007113650-A2 A NOVEL AND IMPROVED PROCESS FRO THE PREPARATION OF NATEGLINIDE AND ITS POLYMORPH FORM-H CADILA PHARMACEUTICALS LIMITED (IN) 2007-10-11 WO claimed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
EP-2493906-A1 HETEROLEPTIC CARBENE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2012-09-05 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
WO-2011051404-A1 HETEROLEPTIC CARBENE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2011-05-05 WO disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP disclosed
WO-2007113650-A2 A NOVEL AND IMPROVED PROCESS FRO THE PREPARATION OF NATEGLINIDE AND ITS POLYMORPH FORM-H CADILA PHARMACEUTICALS LIMITED (IN) 2007-10-11 WO disclosed
EP-0903356-B1 CRYSTALLINE POLYPROPYLENE, PROCESS FOR PREPARING THE SAME, POLYPROPYLENE COMPOSITION, AND THERMOFORMED ARTICLE MITSUI CHEMICALS INC (JP) 2005-09-07 EP disclosed
WO-2004104051-A1 BIMOLECULAR PHOTOINITIATOR SYSTEMS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-12-02 WO disclosed
US-6403708-B2 THERMOFORMING MITSUI CHEMICALS INC (JP) 2002-06-11 US disclosed
US-20010025090-A1 CRYSTALLINE POLYPROPYLENES, PROCESS FOR PREPARING THEROF, POLYPROPYLENE COMPOSITIONS, AND THERMOFORMED PRODUCTS PRIME POLYMER CO., LTD. (JP) 2001-09-27 US disclosed
EP-0903356-A1 CRYSTALLINE POLYPROPYLENE, PROCESS FOR PREPARING THE SAME, POLYPROPYLENE COMPOSITION, AND THERMOFORMED ARTICLE Mitsui Chemicals, Inc. (JP) 1999-03-24 EP disclosed
EP-0112568-B1 GLASS-REINFORCED POLYMER COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-11-05 EP disclosed
US-3962302-A Production of isocyanates from esters of carbamic acids (urethanes) ATLANTIC RICHFIELD COMPANY (US) 1976-06-08 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT LIPA 2541/4885GAA 2350/4885CYP11B2 1396/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI LIPA 3136/4885GAA 3107/4885CYP11B2 1352/4885

“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.