SCHEMBL5386905

SCHEMBL5386905

CCCPCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CALM1 P0DP23 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
KCNH2 Q12809 2/20 0.41
AOC3 Q16853 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 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
SCHEMBL5390167 0.88 CALM1 (0.53) SIGMAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL5391024 0.87 SIGMAR1 (0.48) TP53SIGMAR1HPGDSMN1; SMN2KCNH2
SCHEMBL19736147 0.87 KCNH2 (0.47) SIGMAR1KCNH2AOC3CHRM2HTR1A
SCHEMBL5402052 0.85 SIGMAR1 (0.52) TP53SIGMAR1HPGDHTR2ASMN1; SMN2
SCHEMBL5386870 0.84 TP53 (0.46) TP53SIGMAR1ALDH1A1HPGDALOX15
SCHEMBL11236944 0.84 SIGMAR1 (0.51) SIGMAR1KCNH2CHRM2HTR1AADRA2A
SCHEMBL5393163 0.84 SIGMAR1 (0.50) TP53SIGMAR1ALDH1A1HPGDHSD17B10
SCHEMBL5394940 0.84 SIGMAR1 (0.50) TP53SIGMAR1ALDH1A1HPGDHSD17B10
SCHEMBL5386068 0.84 SIGMAR1 (0.50) TP53SIGMAR1ALDH1A1HPGDHSD17B10
SCHEMBL5389553 0.84 SIGMAR1 (0.50) TP53SIGMAR1ALDH1A1HPGDHSD17B10

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-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 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 (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-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 TP53 4337/4885SIGMAR1 626/4885ALDH1A1 4248/4885

“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.