SCHEMBL21896489

SCHEMBL21896489

CCOC(=O)CCNCCCCCCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
PAOX Q6QHF9 3/20 0.51
LTA4H P09960 3/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
CA12 O43570 1/20 0.43
F13A1 P00488 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL9774188 0.95 CYP1A2 (0.63) CYP1A2PAOXLTA4HHDAC6CA12
SCHEMBL13756029 0.93 CYP1A2 (0.66) CYP1A2PAOXLTA4HHDAC6CA12
SCHEMBL20937053 0.91 LTA4H (0.54) CYP1A2LTA4HALOX15TSHRGAA
SCHEMBL20711444 0.90 CYP1A2 (0.67) CYP1A2PAOXLTA4HHDAC6CA12
SCHEMBL10837120 0.89 CYP1A2 (0.64) CYP1A2PAOXLTA4HCA12CA6
Hydrochloric Acid SCHEMBL26095448 0.87 CYP1A2 (0.62) CYP1A2PAOXLTA4HGAAMGAM
SCHEMBL13756032 0.87 CYP1A2 (0.62) CYP1A2LTA4HCA12CA1CA2
SCHEMBL11374530 0.87 CYP1A2 (0.62) CYP1A2LTA4HCA12CA1CA2
Hydrochloric Acid SCHEMBL1274072 0.87 LTA4H (0.54) CYP1A2LTA4HGAAMGAMSI
SCHEMBL23792105 0.86 LTA4H (0.48) CYP1A2PAOXLTA4HALOX15TSHR

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-10696754-B2 Modified conjugated diene-based polymer and method of preparing the same LG CHEM, LTD. (KR) 2020-06-30 US disclosed
US-20200123277-A1 Modified Conjugated Diene-Based Polymer And Method Of Preparing The Same LG CHEM, LTD. (KR) 2020-04-23 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-10696754-B2 Modified conjugated diene-based polymer and method of preparing the same DCLRE1A, ALG1, FDFT1 CYP1A2 596/4885PAOX 2549/4885LTA4H 1187/4885
US-20200123277-A1 Modified Conjugated Diene-Based Polymer And Method Of Preparing The Same DCLRE1A, ALG1, FDFT1 CYP1A2 596/4885PAOX 2549/4885LTA4H 1187/4885

“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.