SCHEMBL881297

SCHEMBL881297

COc1cc(C(C)=O)ccc1-c1ccc(C(C)=O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
TPMT P51580 1/20 0.52

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
SCHEMBL12900885 0.89 LMNA (0.52) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL10296036 0.86 MKNK1 (0.54) LMNAALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL11540289 0.85 CYP1A2 (0.53) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL11541429 0.85 L3MBTL1 (0.49) LMNAALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL76834 0.85 TSHR (0.73) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL29399077 0.85 TSHR (0.73) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL27753902 0.85 TSHR (0.73) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL13098154 0.84 ALDH1A1 (0.57) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL29688674 0.84 LMNA (0.55) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL12982799 0.84 LMNA (0.55) LMNAALDH1A1TSHRCYP1A2CYP3A4

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-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
WO-2012040389-A2 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
WO-2010111673-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 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 (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-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 LMNA 3390/4885ALDH1A1 1503/4885TSHR 4305/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 LMNA 3390/4885ALDH1A1 1503/4885TSHR 4305/4885

“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.