SCHEMBL13587761

SCHEMBL13587761

CCCC1=C(C(=O)OCC)C(c2ccc(Cl)cc2Cl)C(C#N)=C(SCCCO)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
ALOX15 P16050 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX12 P18054 1/20 0.47
NR3C2 P08235 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL8259559 0.95 ALDH1A1 (0.48) ALDH1A1HPGDALOX15MEN1KMT2A
SCHEMBL8258890 0.89 MAPK1 (0.46) ALDH1A1HPGDALOX15MEN1KMT2A
SCHEMBL13587735 0.84 NR3C2 (0.60) NR3C2MAPK1
SCHEMBL3050505 0.77 ALDH1A1 (0.61) ALDH1A1HPGDALOX15TSHRHSD17B10
SCHEMBL8259299 0.77 NR3C2 (0.51) ALDH1A1HPGDKMT2AHSD17B10NR3C2
SCHEMBL8258493 0.76 MAPK1 (0.53) NR3C2MAPK1
SCHEMBL8258976 0.71 MAPK1 (0.52) NR3C2LMNAMAPK1
SCHEMBL13587774 0.71 NR3C2 (0.55) ALDH1A1ALOX15MEN1KMT2ATSHR
SCHEMBL13587794 0.71 NR3C2 (0.49) NR3C2MAPTNPSR1HTT
SCHEMBL13587772 0.70 NR3C2 (0.59) NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2009-12-03 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 (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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES TRPV1, TRPV2, TRPV6 ALDH1A1 3716/4885HPGD 553/4885ALOX15 459/4885

“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.