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SCHEMBL100416

SCHEMBL100416

O=C(O)CCC(=O)OC(=O)CCCCCC(=O)OC(=O)CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.55
▸ LMNA P02545 4/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ EGLN1 Q9GZT9 2/20 0.47
▸ ALKBH5 Q6P6C2 1/20 0.47
▸ SUCNR1 Q9BXA5 1/20 0.47
▸ GPR84 Q9NQS5 7/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ FFAR4 Q5NUL3 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM6B O15054 1/20 0.44
▸ KDM5C P41229 1/20 0.44
▸ PHF8 Q9UPP1 1/20 0.44
▸ KDM2A Q9Y2K7 1/20 0.44
▸ PPARG P37231 6/20 0.44
▸ PPARD Q03181 6/20 0.44
▸ PPARA Q07869 6/20 0.44
▸ HDAC11 Q96DB2 5/20 0.44
▸ TLR2 O60603 2/20 0.44

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
SCHEMBL4476639 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22EGLN1
SCHEMBL10456760 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22EGLN1
SCHEMBL28346537 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22EGLN1
SCHEMBL13732745 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22EGLN1
SCHEMBL27709413 0.97 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL20594222 0.97 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL14472237 0.97 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL429060 0.97 LMNA (0.53) TSHRLMNANFKB1PMP22EGLN1
Ammonia Solution, Strong SCHEMBL28812365 0.95 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84
Glutarate SCHEMBL28269346 0.95 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 — — US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 — — US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 — — EP disclosed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 — — US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 — — US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 — — US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 — — US disclosed
US-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-05-14 — — US disclosed
EP-2004631-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES Merck Patent GmbH (DE) 2008-12-24 — — EP disclosed
EP-1692110-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2006-08-23 — — EP disclosed
WO-2006040056-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-20 — — WO disclosed
WO-2005082862-A2 BENZIMIDAZOLYL DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-09-09 — — WO disclosed
WO-2005082858-A2 ISOQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2005-09-09 — — WO disclosed
WO-2005082853-A1 SEMICARBAZIDE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-09-09 — — WO disclosed
WO-2005075425-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-08-18 — — WO disclosed
EP-1562905-A2 METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GmbH (DE) 2005-08-17 — — EP disclosed
WO-2005058832-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2005-06-30 — — WO disclosed
WO-2004037789-A2 METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GMBH (DE) 2004-05-06 — — WO disclosed
US-20030176465-A1 Cyclic amino acid derivatives MERCK PATENT GMBH (DE) 2003-09-18 — — 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 (6 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-20030176465-A1 Cyclic amino acid derivatives F5, F11, F2 TSHR 1006/4885LMNA 1708/4885NFKB1 563/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 TSHR 3305/4885LMNA 3748/4885NFKB1 934/4885
US-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES ABL1, NME2, MAP3K1 TSHR 2294/4885LMNA 1727/4885NFKB1 682/4885
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES ABL1, BTK, PRKACA TSHR 1315/4885LMNA 2389/4885NFKB1 2010/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 TSHR 3305/4885LMNA 3748/4885NFKB1 934/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 TSHR 1520/4885LMNA 2512/4885NFKB1 1409/4885

“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.