SCHEMBL4911976

SCHEMBL4911976

C[CH]OC(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
SLC6A4 P31645 1/20 0.37
MIF P14174 1/20 0.36
SLC7A5 Q01650 1/20 0.36
IGLV6-57 P01721 1/20 0.35
TRPA1 O75762 3/20 0.35
HKDC1 Q2TB90 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
AOC3 Q16853 1/20 0.34
POLB P06746 1/20 0.34
GSR P00390 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL4911785 0.84 AOC3 (0.40) LMNASLC6A4HTR2AHRH1AOC3
SCHEMBL1827511 0.82 LMNA (0.42) LMNASLC6A4MIFIGLV6-57POLB
SCHEMBL13616887 0.82 LMNA (0.42) LMNASLC6A4MIFIGLV6-57POLB
SCHEMBL4920321 0.82 LMNA (0.42) LMNASLC6A4MIFSLC7A5IGLV6-57
SCHEMBL4922171 0.79 LMNA (0.39) LMNASLC6A4MIFSLC7A5IGLV6-57
SCHEMBL36373 0.78 LMNA (0.50) LMNASLC6A4MIFSLC7A5TRPA1
SCHEMBL2792023 0.78 LMNA (0.50) LMNASLC6A4MIFSLC7A5IGLV6-57
SCHEMBL11915432 0.76 LMNA (0.48) LMNASLC6A4MIFSLC7A5IGLV6-57
SCHEMBL8269660 0.76 LMNA (0.48) LMNASLC6A4MIFSLC7A5IGLV6-57
SCHEMBL1068693 0.76 LMNA (0.48) LMNASLC6A4MIFSLC7A5IGLV6-57

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
US-7071211-B2 Small organic molecules that increase the activity of gelatinase a in ocular cells BAUSCH & LOMB INC. (US) 2006-07-04 US disclosed
US-20060121090-A1 Ocular compositions that increases the activity of gelatinase a in ocular cells BAUSCH & LOMB INCORPORATED 2006-06-08 US disclosed
EP-1542687-A1 SMALL ORGANIC MOLECULES THAT INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2005-06-22 EP disclosed
WO-2004028538-A1 SMALL ORGANIC MOLECULES THAT INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2004-04-08 WO disclosed
US-20040068017-A1 Small organic molecules that increase the activity of Gelatinase A in ocular cells BAUSCH & LOMB INCORPORATED 2004-04-08 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-20060121090-A1 Ocular compositions that increases the activity of gelatinase a in ocular cells MMP3, MMP13, MMP1 LMNA 483/4885SLC6A4 4690/4885MIF 356/4885
US-20040068017-A1 Small organic molecules that increase the activity of Gelatinase A in ocular cells MMP1, MMP3, MMP10 LMNA 1181/4885SLC6A4 3927/4885MIF 185/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 LMNA 3156/4885SLC6A4 646/4885MIF 4189/4885

“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.