SCHEMBL4849009

SCHEMBL4849009

CCCCCC(=O)NCOC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.61
HSP90AA1 P07900 1/20 0.52
DNM1 Q05193 2/20 0.50
RECQL P46063 1/20 0.50
CASP2 P42575 1/20 0.48
CNR1 P21554 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.46
POLB P06746 1/20 0.46
POLA1 P09884 1/20 0.46

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
SCHEMBL14071552 0.98 FAAH (0.64) FAAHHSP90AA1DNM1RECQLCASP2
SCHEMBL18023468 0.98 FAAH (0.64) FAAHHSP90AA1DNM1RECQLCASP2
SCHEMBL27586328 0.98 FAAH (0.64) FAAHHSP90AA1DNM1RECQLCASP2
SCHEMBL13241883 0.98 FAAH (0.64) FAAHHSP90AA1DNM1RECQLCASP2
SCHEMBL2126624 0.98 FAAH (0.64) FAAHHSP90AA1DNM1RECQLCASP2
SCHEMBL13241886 0.98 FAAH (0.64) FAAHHSP90AA1DNM1RECQLCASP2
SCHEMBL22746115 0.94 FAAH (0.52) FAAHHSP90AA1DNM1RECQLCASP2
SCHEMBL11505724 0.91 RECQL (0.58) FAAHHSP90AA1DNM1RECQLMEN1
SCHEMBL17049333 0.85
SCHEMBL8639742 0.82 TSHR (0.46) FAAHRECQLCASP2CNR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354931-B2 Treating obstructive airway disorders using nontoxic drug ROCHE PALO ALTO LLC (US) 2008-04-08 US disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 US disclosed
EP-1442032-B1 HETEROCYCLIC RETINOID COMPOUNDS HOFFMANN LA ROCHE (CH) 2007-04-18 EP disclosed
US-20050049238-A1 Heterocyclic retinoid compounds KLAUS MICHAEL (DE) 2005-03-03 US disclosed
US-6818652-B2 THERAPEUTIC TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE, CANCER AND DERMATOLOGICAL SKIN DISORDERS SYNTEX (U.S.A.) LLC 2004-11-16 US disclosed
EP-1442032-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-20030158178-A1 Heterocyclic retinoid compounds SYNTEX (U.S.A.) LLC 2003-08-21 US disclosed
WO-2003037882-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO 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-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators CNR1, CNR2, GPR55 FAAH 64/4885HSP90AA1 3835/4885DNM1 794/4885
US-20050049238-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA FAAH 2378/4885HSP90AA1 3317/4885DNM1 1589/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA FAAH 2378/4885HSP90AA1 3317/4885DNM1 1589/4885

“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.