SCHEMBL11316693

SCHEMBL11316693

CC(C(=O)O)C1(O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.35
TP53 P04637 1/20 0.33
CYP2C19 P33261 2/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRM4 P08173 1/20 0.32
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL15330916 0.93 TSHR (0.38) MMETP53CYP2C19TSHRNFKB1
SCHEMBL28003648 0.79 OPRM1 (0.34) MMETP53CYP2C19TSHRNFKB1
SCHEMBL18052040 0.79 EPHX1 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL17077871 0.79 TP53 (0.32) TP53
SCHEMBL8158504 0.78 MME (0.36) MMETP53CYP2C19TSHRNFKB1
SCHEMBL11082258 0.77 CYP1A2 (0.36) TP53CYP1A2
SCHEMBL1874859 0.76 CYP2C19 (0.36) MMETP53CYP2C19TSHRNFKB1
SCHEMBL22140322 0.76 MEN1 (0.34) CHRM2CHRM1CHRM3LMNASMN1; SMN2
SCHEMBL22140324 0.76 MEN1 (0.34) CHRM2CHRM1CHRM3LMNASMN1; SMN2
SCHEMBL25042034 0.74 MME (0.34) MMETP53CYP2C19TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2442809-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2016-08-31 EP disclosed
US-20160152614-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-06-02 US disclosed
US-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-22 US disclosed
EP-0029052-A1 A PROCESS AND A MEANS FOR CLEANING TEPAB TEKNISK PRODUKTUTVECKLING AB (SE) 1981-05-27 EP disclosed
WO-1980002693-A1 A PROCESS AND A MEANS FOR CLEANING TEPAB TEKNISK PRODUKTUTVEKKLIN (SE) 1980-12-11 WO disclosed
US-4218341-A COMPLEXING, PRECIPITATION, OR CHEMICAL REDUCTION DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-08-19 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 (3 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-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 MME 41/4885TP53 825/4885CYP2C19 513/4885
US-20160152614-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 MME 41/4885TP53 825/4885CYP2C19 513/4885
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 MME 41/4885TP53 825/4885CYP2C19 513/4885

“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.