SCHEMBL4156261

SCHEMBL4156261

Clc1ccc2c(c1)C(=CBr)c1ccccc1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
PARP1 P09874 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PARP10 Q53GL7 1/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SLC6A2 P23975 4/20 0.37
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
RET P07949 3/20 0.37
ADRB2 P07550 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
ADRB1 P08588 2/20 0.37
HTR1A P08908 2/20 0.37

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
SCHEMBL4156260 1.00 MAOB (0.41) MAOBPARP1TDP1L3MBTL1F7
SCHEMBL4161951 0.90 HTT (0.44) MAOBPARP1LMNAALDH1A1HPGD
SCHEMBL4036595 0.90 HTT (0.44) MAOBPARP1LMNAALDH1A1HPGD
SCHEMBL4036590 0.90 HTT (0.44) MAOBPARP1LMNAALDH1A1HPGD
SCHEMBL4040169 0.84 CES1 (0.50) MAOBPARP1TDP1L3MBTL1PARP10
SCHEMBL22146706 0.83 MAOB (0.44) MAOBPARP1TDP1L3MBTL1F7
SCHEMBL4041916 0.80 HTT (0.50) LMNASLC6A2ADRB2CHRM2CHRM4
SCHEMBL11202871 0.80 CYP3A4 (0.50) PARP1TDP1LMNAALDH1A1SLC6A2
SCHEMBL11202872 0.80 CYP3A4 (0.50) PARP1TDP1LMNAALDH1A1SLC6A2
SCHEMBL4153618 0.80 PARP1 (0.39) PARP1TDP1L3MBTL1PARP10LMNA

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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 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 (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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 MAOB 2154/4885PARP1 4266/4885TDP1 3931/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 MAOB 2012/4885PARP1 4253/4885TDP1 4121/4885

“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.