SCHEMBL4644782

SCHEMBL4644782

O=C(Cl)OOCCOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
NAAA Q02083 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 2/20 0.40
TEAD3 Q99594 1/20 0.39
SLC1A1 P43005 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL335181 0.83 ALDH1A1 (0.64) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL343443 0.82 ALDH1A1 (0.69) ALDH1A1TSHRSMN1; SMN2HTTNAAA
SCHEMBL342830 0.81 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2HTTNAAA
SCHEMBL4964402 0.80 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL343578 0.79 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2HTTNAAA
SCHEMBL1991359 0.77 TSHR (0.78) TSHRSMN1; SMN2HTTNAAAL3MBTL1
SCHEMBL2639772 0.77 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2HTTLMNA
SCHEMBL26135754 0.76 HCAR2 (0.43) ALDH1A1TSHRSMN1; SMN2HTTNAAA
SCHEMBL28934013 0.76 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2HTTNAAA
SCHEMBL9871595 0.75 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2HTTNAAA

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-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR ABBVIE INC. 2012-11-01 US disclosed
US-8232309-B2 Prodrugs of compounds that inhibit TRPV1 receptor ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
EP-1957464-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR Abbott Laboratories (US) 2008-08-20 EP disclosed
WO-2007050732-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR ABBOTT LABORATORIES (US) 2007-05-03 WO disclosed
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor ABBVIE INC. 2007-05-03 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 (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-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR TRPV1, TRPV3, TRPA1 ALDH1A1 583/4885TSHR 2169/4885SMN1; SMN2 3168/4885
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor TRPV1, TRPV3, TRPA1 ALDH1A1 583/4885TSHR 2169/4885SMN1; SMN2 3168/4885

“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.