SCHEMBL2968938

SCHEMBL2968938

CCCCc1ccn(CCCC)c1[N]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR8 Q9NR97 2/20 0.36
TYR P14679 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 2/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CTRC Q99895 1/20 0.32
NPC1 O15118 1/20 0.31
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 1/20 0.31
RAB9A P51151 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL2970651 0.81 CNR2 (0.33) CNR2
SCHEMBL2974162 0.78 TYR (0.38) ALDH1A1POLBKMT2ATLR8TYR
SCHEMBL10538607 0.72 ALDH1A1 (0.39) ALDH1A1POLBKMT2ATLR8TYR
SCHEMBL1925550 0.70 TLR8 (0.40) ALDH1A1POLBKMT2ATLR8TYR
SCHEMBL10539640 0.69 ALDH1A1 (0.40) ALDH1A1POLBKMT2ATLR8TYR
SCHEMBL9679895 0.69 HSD17B10 (0.37) ALDH1A1POLBKMT2ATLR8TYR
SCHEMBL28990233 0.69 OXER1 (0.46) TLR8CNR2HTR2AHTR2CHTR2B
SCHEMBL10755003 0.69 TLR8 (0.39) ALDH1A1POLBKMT2ATLR8TYR
SCHEMBL2962081 0.67 ALDH1A1 (0.41) ALDH1A1POLBKMT2ATLR8NPSR1
SCHEMBL19164856 0.66 ALDH1A1 (0.48) ALDH1A1POLBKMT2ATLR8TYR

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-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 ALDH1A1 4332/4885POLB 2658/4885KMT2A 1517/4885

“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.