SCHEMBL19784339

SCHEMBL19784339

IC/C=C/COc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.67
KCNA3 P22001 1/20 0.46
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
APP P05067 1/20 0.41
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.39
LTA4H P09960 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL419305 0.91 AOC3 (0.78) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL419306 0.91 AOC3 (0.78) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL12556457 0.82 AOC3 (0.61) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL5576566 0.82 AOC3 (0.61) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL5576798 0.82 AOC3 (0.61) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL2790731 0.80 AOC3 (0.64) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL9326064 0.80 AOC3 (0.64) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL423077 0.80 AOC3 (0.64) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL13313286 0.80 AOC3 (0.70) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL3983712 0.80 AOC3 (1.00) AOC3KCNA3TAAR1ALDH1A1RECQL

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-20180193486-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. 2018-07-12 US disclosed
US-20180015170-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC (US) 2018-01-18 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-20180193486-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 AOC3 1067/4885KCNA3 4641/4885TAAR1 2995/4885
US-20180015170-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 AOC3 3928/4885KCNA3 4837/4885TAAR1 3770/4885

“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.