SCHEMBL18196628

SCHEMBL18196628

CCCN(CC=O)C(=O)CCCC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ CNR1 P21554 2/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FAAH O00519 2/20 0.34
▸ BLM P54132 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL9126925 0.79 EPHX2 (0.45) ALDH1A1TSHR
SCHEMBL13923681 0.77 CA12 (0.40) ALDH1A1HPGDTSHRCA12CA2
SCHEMBL1891295 0.76 EPHX2 (0.40) MAPT
SCHEMBL24115230 0.76 CA12 (0.39) ALDH1A1HPGDTSHRCA12CA2
SCHEMBL12085143 0.75 KDM5A (0.41) ALDH1A1LMNATSHR
SCHEMBL12085171 0.75 KDM5A (0.41) ALDH1A1LMNATSHR
SCHEMBL3310896 0.74 ALDH1A1 (0.64) ALDH1A1HPGDLMNATSHRCA12
SCHEMBL19404635 0.74 ALDH1A1 (0.64) ALDH1A1HPGDLMNATSHRCA12
SCHEMBL26313181 0.74 TSHR (0.55) LMNATSHRTRPV1MAPTFAAH
SCHEMBL27093643 0.73 LMNA (0.64) ALDH1A1HPGDLMNATSHRTRPV1

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-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 — — US disclosed
US-20160319322-A1 PATHOGEN DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-11-03 — — 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-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS HAMP, SLC40A1, FTH1 ALDH1A1 4009/4885HPGD 1423/4885LMNA 3345/4885

“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.

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