SCHEMBL5613624

SCHEMBL5613624

CCCCOC(=O)C(C)(Br)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.42
ESR1 P03372 7/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4D Q08499 1/20 0.40
NAAA Q02083 1/20 0.39

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
SCHEMBL5613336 0.88 ALDH1A1 (0.39) ALDH1A1TSHRTDP1ESR1LMNA
SCHEMBL649873 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRL3MBTL1TDP1
SCHEMBL25796351 0.82 ALDH1A1 (0.42) ALDH1A1ATMTSHRL3MBTL1TDP1
SCHEMBL5611293 0.82 ALDH1A1 (0.50) ALDH1A1ATMTSHRL3MBTL1TDP1
SCHEMBL17430741 0.82 ACHE (0.36) ALDH1A1TSHRHSD17B10
SCHEMBL11422785 0.81 ALDH1A1 (0.54) ALDH1A1ATMTSHRL3MBTL1TDP1
SCHEMBL5806837 0.81 ALDH1A1 (0.54) ALDH1A1ATMTSHRL3MBTL1TDP1
SCHEMBL13997912 0.81 EPHX1 (0.52) ALDH1A1TSHRESR1LMNAMAPK1
SCHEMBL110464 0.79 ALDH1A1 (0.52) ALDH1A1ATMTSHRL3MBTL1TDP1
SCHEMBL6058509 0.79 ALDH1A1 (0.56) ALDH1A1ATMTSHRL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270521-A1 Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
CN-101024659-A Transition metal compound, polymerization initiator system including same and polymer production method SUMITOMO CHEMICAL CO (JP) 2007-08-29 CN 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-20070270521-A1 Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer CARM1, CPN1, CCNT1 ALDH1A1 1585/4885ATM 2940/4885TSHR 4291/4885

“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.