SCHEMBL630820

SCHEMBL630820

C=Cc1cc(OC)ccc1CC(CC)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
ERN1 O75460 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ROCK2 O75116 1/20 0.34
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2A P28223 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 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
SCHEMBL630819 1.00 ABCB11 (0.36) ABCB11KDM4EALDH1A1KMT2AERN1
SCHEMBL7136926 0.84 TDP1 (0.41) KDM4EALDH1A1KMT2ATSHRHTR2A
SCHEMBL629403 0.80 HTR2A (0.35) KDM4EALDH1A1KMT2AERN1TSHR
SCHEMBL629402 0.80 HTR2A (0.35) KDM4EALDH1A1KMT2AERN1TSHR
SCHEMBL629404 0.80 HTR2A (0.35) KDM4EALDH1A1KMT2AERN1TSHR
SCHEMBL630627 0.79 ERN1 (0.43) KDM4EALDH1A1KMT2AERN1TSHR
SCHEMBL629698 0.78 ERN1 (0.42) KDM4EALDH1A1KMT2AERN1RAB9A
SCHEMBL629697 0.78 ERN1 (0.42) KDM4EALDH1A1KMT2AERN1RAB9A
SCHEMBL16959550 0.77 ERN1 (0.44) ALDH1A1ERN1TSHRAKR1C3AKR1C2
SCHEMBL629324 0.76 ERN1 (0.40) KDM4EALDH1A1KMT2AERN1TSHR

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
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC ABCB11 4315/4885KDM4E 1977/4885ALDH1A1 2690/4885

“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.