SCHEMBL2807700

SCHEMBL2807700

CNCCCCCCCCCCCC(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
LMNA P02545 3/20 0.53
ALDH1A1 P00352 1/20 0.53
EPHX2 P34913 4/20 0.49
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4A O75164 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6878250 1.00 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL18724660 1.00 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL132440 1.00 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL436882 1.00 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL17995286 1.00 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL17995288 1.00 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL24310000 1.00 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
Hydrochloric Acid SCHEMBL28920801 0.98 TSHR (0.58) TSHRLMNAALDH1A1EPHX2CA12
Hydrochloric Acid SCHEMBL1232903 0.98 TSHR (0.58) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL694512 0.98 TSHR (0.64) TSHRLMNAALDH1A1EPHX2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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 (1 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 TSHR 4756/4885LMNA 3516/4885ALDH1A1 302/4885

“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.