SCHEMBL629404

SCHEMBL629404

C=Cc1cc(OC)ccc1CC(C=C)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
ERN1 O75460 1/20 0.34
APLNR P35414 1/20 0.34
RAB9A P51151 2/20 0.34
CYP1A1 P04798 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP1B1 Q16678 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ROCK2 O75116 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 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
SCHEMBL629403 1.00 HTR2A (0.35) HTR2AKDM4EALDH1A1KMT2AERN1
SCHEMBL629402 1.00 HTR2A (0.35) HTR2AKDM4EALDH1A1KMT2AERN1
SCHEMBL629698 0.89 ERN1 (0.42) HTR2AKDM4EALDH1A1KMT2AERN1
SCHEMBL629697 0.89 ERN1 (0.42) HTR2AKDM4EALDH1A1KMT2AERN1
SCHEMBL630820 0.80 ABCB11 (0.36) HTR2AKDM4EALDH1A1KMT2AERN1
SCHEMBL630819 0.80 ABCB11 (0.36) HTR2AKDM4EALDH1A1KMT2AERN1
SCHEMBL16959550 0.79 ERN1 (0.44) ALDH1A1ERN1APLNRCYP1A1CYP1A2
SCHEMBL7136926 0.78 TDP1 (0.41) HTR2AKDM4EALDH1A1KMT2ACYP3A4
SCHEMBL16953704 0.76 ERN1 (0.39) KDM4EALDH1A1KMT2AERN1APLNR
SCHEMBL629324 0.74 ERN1 (0.40) HTR2AKDM4EALDH1A1KMT2AERN1

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 HTR2A 2446/4885KDM4E 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.