SCHEMBL9775285

SCHEMBL9775285

CCCCCCCNOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
CETP P11597 3/20 0.47
HRAS P01112 1/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NAAA Q02083 1/20 0.44
DNM1 Q05193 1/20 0.42
ALDH1A1 P00352 1/20 0.41
EPHX2 P34913 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
SCHEMBL9781675 1.00 SIGMAR1 (0.51) SIGMAR1CETPHRASHPGDMEN1
SCHEMBL12802756 1.00 SIGMAR1 (0.51) SIGMAR1CETPHRASHPGDMEN1
SCHEMBL8893077 1.00 SIGMAR1 (0.51) SIGMAR1CETPHRASHPGDMEN1
SCHEMBL28034249 1.00 SIGMAR1 (0.51) SIGMAR1CETPHRASHPGDMEN1
SCHEMBL28034352 1.00 SIGMAR1 (0.51) SIGMAR1CETPHRASHPGDMEN1
SCHEMBL27753131 0.98 SIGMAR1 (0.53) SIGMAR1CETPHRASHPGDMEN1
Hydrochloric Acid SCHEMBL7870266 0.91 SIGMAR1 (0.44) SIGMAR1CETPHRASHPGDMEN1
SCHEMBL437919 0.91 MAOA (0.48) SIGMAR1HRAS
SCHEMBL1240611 0.85 HRAS (0.46) SIGMAR1HRASALDH1A1
SCHEMBL8863637 0.82 MAOA (0.47) SIGMAR1HRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422233-B2 Vanilloid fatty hydroxamates as therapeutic anti-inflammatory pharmaceuticals RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-23 US disclosed
US-20120252891-A1 Vanilloid Fatty Hydroxamates as Therapeutic Anti-inflammatory Pharmaceuticals UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-04 US disclosed
US-4987253-A Method for the synthesis of desferrioxamine B and analogs thereof UNIVERSITY OF FLORIDA (US) 1991-01-22 US disclosed
EP-0347163-A2 Method for the synthesis of desferrioxamine B and analogs thereof, and intermediates THE UNIVERSITY OF FLORIDA (US) 1989-12-20 EP 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-20120252891-A1 Vanilloid Fatty Hydroxamates as Therapeutic Anti-inflammatory Pharmaceuticals FAAH, FAAH2, TRPV1 SIGMAR1 2933/4885CETP 1301/4885HRAS 3045/4885

“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.