SCHEMBL4153618

SCHEMBL4153618

Fc1ccc2c(c1)C(=CBr)c1ccccc1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP10 Q53GL7 1/20 0.39
MAPK14 Q16539 2/20 0.38
SRD5A1 P18405 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
SLC6A2 P23975 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 3/20 0.37
RET P07949 3/20 0.37
LMNA P02545 3/20 0.37
HTR2B P41595 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
SCHEMBL4153615 1.00 PARP1 (0.39) PARP1TDP1L3MBTL1PARP10MAPK14
SCHEMBL4158001 0.90 MAPK14 (0.44) PARP1MAPK14SRD5A1KMT2AALDH1A1
SCHEMBL4158002 0.90 MAPK14 (0.44) PARP1MAPK14SRD5A1KMT2AALDH1A1
SCHEMBL4040169 0.84 CES1 (0.50) PARP1TDP1L3MBTL1PARP10KMT2A
SCHEMBL4045716 0.80 CYP11B2 (0.46) PARP1PARP10SRD5A1
SCHEMBL4156260 0.80 MAOB (0.41) PARP1TDP1L3MBTL1PARP10KMT2A
SCHEMBL4156261 0.80 MAOB (0.41) PARP1TDP1L3MBTL1PARP10KMT2A
SCHEMBL14415822 0.80 PARP1 (0.36) PARP1TDP1L3MBTL1PARP10MAPK14
SCHEMBL8352798 0.78 TDP1 (0.37) PARP1TDP1L3MBTL1PARP10MAPK14
SCHEMBL4155446 0.75 HTR1A (0.38) PARP1SRD5A1KMT2AALDH1A1SLC6A2

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 7 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-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-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
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 PARP1 4266/4885TDP1 3931/4885L3MBTL1 4870/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 PARP1 4253/4885TDP1 4121/4885L3MBTL1 4872/4885

“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.