SCHEMBL12376872

SCHEMBL12376872

Oc1cc(I)ccc1CI

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 6/20 0.39
ERN1 O75460 1/20 0.39
IDO1 P14902 1/20 0.34
ALOX5 P09917 2/20 0.32
SLC6A4 P31645 1/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4290170 0.81 TYR (0.39) TYRERN1IDO1ALOX5SLC6A4
SCHEMBL17928534 0.78 TYR (0.65) TYRALOX5MAPTMEN1KMT2A
SCHEMBL1539516 0.77 IDO1 (0.38) IDO1SLC6A4
SCHEMBL283006 0.75 IDO1 (0.36) IDO1SLC6A4
SCHEMBL28646542 0.74 CASP1 (0.46) TYRMAPTMEN1KMT2ACYP3A4
SCHEMBL13264635 0.74 TYR (0.38) TYRALOX5
SCHEMBL14430064 0.74 TRPA1 (0.52) TYRMAPTMEN1KMT2ATP53
SCHEMBL12478909 0.74 ERN1 (0.47) TYRERN1IDO1
SCHEMBL18982159 0.71 POLB (0.58) TYR
SCHEMBL764585 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904047-B1 APOPTOSIS PROMOTERS ABBOTT LAB (US) 2013-01-02 EP disclosed
US-7989656-B2 Biaryl carboxylic acid apoptosis promoters ABBOTT LABORATORIES (US) 2011-08-02 US disclosed
US-20100234456-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2010-09-16 US disclosed
US-7750004-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-06 US disclosed
US-20070135392-A1 Apoptosis promoters ABBVIE INC. 2007-06-14 US disclosed
WO-2007008627-A2 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2007-01-18 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 (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-20100234456-A1 APOPTOSIS PROMOTERS MCL1, BAX, BCL2 TYR 4503/4885ERN1 623/4885IDO1 4276/4885
US-20070135392-A1 Apoptosis promoters MCL1, BAX, BCL2 TYR 4503/4885ERN1 623/4885IDO1 4276/4885

“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.