SCHEMBL15814101

SCHEMBL15814101

COc1cc(C=O)c(Br)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.72
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 2/20 0.51
HPGD P15428 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 2/20 0.48
GPR55 Q9Y2T6 1/20 0.48
ERN1 O75460 6/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL22492691 0.93 PRKDC (0.72) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL23214848 0.85 PRKDC (0.61) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL515642 0.84 PRKDC (1.00) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL698744 0.82 PRKDC (0.81) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL8188243 0.82 ALDH1A1 (0.57) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL10394357 0.82 ALDH1A1 (0.69) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL4253285 0.79 PRKDC (0.75) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL15813932 0.79 ALDH1A1 (0.53) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL19640196 0.79 LMNA (0.50) PRKDCALDH1A1KDM4ETDP1LMNA
SCHEMBL7401545 0.79 ALDH1A1 (0.69) PRKDCALDH1A1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935284-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS AbbVie Inc. (US) 2015-10-28 EP disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 WO disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 PRKDC 4122/4885ALDH1A1 801/4885KDM4E 2698/4885

“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.