SCHEMBL4642069

SCHEMBL4642069

COC(=O)c1cc(I)cc2c1OCC=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.32
OPRK1 P41145 2/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CFTR P13569 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
NPC1 O15118 2/20 0.30

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
SCHEMBL4641431 0.86 HPGD (0.37) KDM4EALDH1A1HPGDPOLBTARBP2
SCHEMBL4641334 0.82 CYP1A1 (0.33) CA1CA9
SCHEMBL4643649 0.77 KDM4E (0.41) KDM4EHPGDPOLBMEN1KMT2A
SCHEMBL27383030 0.77 TRPA1 (0.46) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4200270 0.73 ALDH1A1 (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4640364 0.73 AGER (0.32) KDM4EALDH1A1OPRK1POLBSMN1; SMN2
SCHEMBL16502785 0.72 TARBP2 (0.47) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4644485 0.71 FFAR1 (0.37) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL27651642 0.69 MPL (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL21003314 0.68 SMN1; SMN2 (0.36) KDM4EALDH1A1HPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 KDM4E 2247/4885ALDH1A1 3513/4885HPGD 2641/4885

“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.