SCHEMBL70919

SCHEMBL70919

CC1Oc2ccc(C(C)C)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.38
PTGS1 P23219 2/20 0.36
TRPA1 O75762 1/20 0.36
CACNA1C Q13936 1/20 0.36
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 1/20 0.35
HIF1A Q16665 1/20 0.35
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
RNASEH1 O60930 1/20 0.33
PTGS2 P35354 1/20 0.33
TYR P14679 2/20 0.32
KIF11 P52732 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 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
SCHEMBL13799651 0.84 LMNA (0.35) CYP1A2CYP2C9CYP2C19LMNAPTGS1
SCHEMBL18161457 0.82 LMNA (0.36) LMNAPTGS1TRPA1CACNA1CGAA
SCHEMBL14862068 0.80 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL22736845 0.79 LMNA (0.34) LMNAPTGS1TRPA1CACNA1CGAA
SCHEMBL27436354 0.77 LMNA (0.33) LMNAPTGS1TRPA1CACNA1CGAA
SCHEMBL23949380 0.76 LTB4R (0.41) CYP1A2CYP2C9CYP2C19PTGS1GAA
SCHEMBL1291771 0.76 PTGS1 (0.38) CYP1A2CYP2C9CYP2C19PTGS1TRPA1
SCHEMBL20021544 0.76 LTB4R (0.41) CYP1A2CYP2C9CYP2C19PTGS1GAA
SCHEMBL1291774 0.74 TYR (0.38) CYP1A2CYP2C9CYP2C19LMNAPTGS1
SCHEMBL2707237 0.73 LMNA (0.43) LMNAPTGS1TRPA1CACNA1CGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308595-B2 Albicidin derivatives, their use and synthesis Technische Universität Berlin (DE) 2019-06-04 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (9 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-10308595-B2 Albicidin derivatives, their use and synthesis MB, ALB, BCAT2 CYP1A2 1530/4885CYP2C9 803/4885CYP2C19 1550/4885
US-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP1A2 807/4885CYP2C9 617/4885CYP2C19 383/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CYP1A2 2022/4885CYP2C9 3496/4885CYP2C19 2478/4885
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 CYP1A2 1530/4885CYP2C9 803/4885CYP2C19 1550/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP1A2 807/4885CYP2C9 617/4885CYP2C19 383/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP1A2 807/4885CYP2C9 617/4885CYP2C19 383/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CYP1A2 2253/4885CYP2C9 2212/4885CYP2C19 1933/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CYP1A2 2022/4885CYP2C9 3496/4885CYP2C19 2478/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CYP1A2 2253/4885CYP2C9 2212/4885CYP2C19 1933/4885

“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.