SCHEMBL18487566

SCHEMBL18487566

CC(=O)Oc1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.52
PPARD Q03181 7/20 0.52
PTPN1 P18031 1/20 0.51
MRGPRX4 Q96LA9 3/20 0.51
S1PR5 Q9H228 1/20 0.50
MAOB P27338 2/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
ERN1 O75460 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
SCHEMBL4840332 0.89 FFAR1 (0.55) FFAR1PPARDPTPN1MRGPRX4MAOB
SCHEMBL3214764 0.86 PTPN1 (0.42) FFAR1PPARDPTPN1MRGPRX4S1PR5
SCHEMBL6702501 0.86 PTPN1 (0.57) PTPN1MAOBMTNR1AMTNR1BKDM4E
SCHEMBL18985160 0.84 FFAR4 (0.59) FFAR1PPARDPTPN1MRGPRX4S1PR5
SCHEMBL29496717 0.84 FFAR4 (0.59) FFAR1PPARDPTPN1MRGPRX4S1PR5
SCHEMBL3290591 0.83 PTPN1 (0.51) PTPN1MAOBMTNR1AMTNR1BKDM4E
SCHEMBL10914926 0.83 MRGPRX4 (0.58) PTPN1MRGPRX4MAOBMTNR1AMTNR1B
SCHEMBL6949817 0.83 SMN1; SMN2 (0.51) PTPN1MAOBMTNR1AMTNR1BKDM4E
SCHEMBL4627636 0.83 NPC1 (0.60) MRGPRX4MTNR1AMTNR1BKDM4EPKM
SCHEMBL1319198 0.83 FOLH1 (0.60) PTPN1MAOBMTNR1AMTNR1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170080095-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES APOSENSE LTD. (IL) 2017-03-23 US disclosed
US-20170037401-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES APOSENSE LTD. (IL) 2017-02-09 US disclosed
CN-1898222-A Substituted aryl cycloalkanol derivatives and methods of their use WYETH CORP (US) 2007-01-17 CN disclosed
CN-1897946-A 1- 2' (1, 4'-biperidin-1'-yl)-1- (phenyl) -ethyl cyclohexanol derivatives as monoamine reuptake modulators for the treatment of visomotor symptoms WYETH CORP (US) 2007-01-17 CN disclosed
CN-1897950-A Fused aryl and heteroaryl derivatives and methods of use thereof WYETH CORP (US) 2007-01-17 CN disclosed
CN-1894226-A Arylalkyl- and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH CORP (US) 2007-01-10 CN 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-20170080095-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES ABCB4, LNPK, MBOAT1 FFAR1 2029/4885PPARD 2337/4885PTPN1 4433/4885
US-20170037401-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES ABCB4, LNPK, MBOAT1 FFAR1 2029/4885PPARD 2337/4885PTPN1 4433/4885

“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.