SCHEMBL3078804

SCHEMBL3078804

BrCCCOc1cccc(C2OC=CO2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
PRSS1 P07477 6/20 0.34
KCNH2 Q12809 1/20 0.33
KCNA3 P22001 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5725738 0.92 SMN1; SMN2 (0.38) TSHRSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL984461 0.84 TSHR (0.46) TSHRSMN1; SMN2
SCHEMBL5346832 0.84 SMN1; SMN2 (0.39) TSHRSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL12964044 0.83 ALDH1A1 (0.42) TSHRSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL984529 0.83 KMT2A (0.46) TSHRSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL981631 0.81 ALDH1A1 (0.40) TSHRSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL20977574 0.81 ALDH1A1 (0.41) TSHRSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL984346 0.79 TP53 (0.49) TSHRSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL1276651 0.79 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7975035 0.78 ALDH1A1 (0.70) TSHRSMN1; SMN2ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
EP-1330453-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-03-29 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
US-20040116471-A1 Indolylpiperidine derivatives as antihistaminic aand antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2004-06-17 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-20090012055-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885SMN1; SMN2 4291/4885ALDH1A1 142/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885SMN1; SMN2 4291/4885ALDH1A1 142/4885

“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.