SCHEMBL1311069

SCHEMBL1311069

CC(=O)OCCCCCCOCCC#Cc1ccc(N(C)C(=O)C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PTPN2 P17706 4/20 0.32
PTPN1 P18031 4/20 0.32
PTPN6 P29350 4/20 0.32
PTPN11 Q06124 4/20 0.32
APP P05067 4/20 0.31
MLYCD O95822 1/20 0.31
LMNA P02545 1/20 0.31
RAD52 P43351 1/20 0.31
MAPT P10636 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL1310901 0.81 FAAH (0.41) LMNARAD52MAPTHDAC1HDAC2
SCHEMBL1310372 0.77 GABRP (0.44) APPMLYCDMAPTFFAR1FFAR4
SCHEMBL5182428 0.68 PTPN2 (0.46) PTPN2PTPN1PTPN6PTPN11LMNA
SCHEMBL9762658 0.68 ALDH1A1 (0.45) MAPTHDAC1HDAC2FFAR1FFAR4
SCHEMBL7055462 0.68 ALDH1A1 (0.46) MAPTFFAR1FFAR4
SCHEMBL9763284 0.67 GPR119 (0.39) PTPN2PTPN1PTPN6PTPN11
SCHEMBL5182779 0.65 PTPN2 (0.48) PTPN2PTPN1PTPN6PTPN11LMNA
SCHEMBL9763616 0.63 HRH3 (0.39) MLYCDLMNAMAPTFFAR1FFAR4
SCHEMBL10488134 0.63 TSHR (0.46) PTPN2PTPN1PTPN6PTPN11LMNA
SCHEMBL7051816 0.63 FFAR1 (0.40) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
WO-2011143105-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2011-11-17 WO disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 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-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, MRGPRX2 CHRNB2 177/4885CHRNB4 156/4885CHRNA3 248/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 CHRNB2 175/4885CHRNB4 167/4885CHRNA3 265/4885

“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.