SCHEMBL17679182

SCHEMBL17679182

CCCCCCCCCCCC1OC1(C)N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
EPHX1 P07099 2/20 0.39
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
SPHK1 Q9NYA1 4/20 0.35
SPHK2 Q9NRA0 3/20 0.35
DNM1 Q05193 8/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15719397 1.00 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBSPHK1
SCHEMBL6907966 0.81 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBSPHK1
SCHEMBL9133975 0.81 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBSPHK1
SCHEMBL6907971 0.81 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBSPHK1
SCHEMBL9618602 0.81 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBSPHK1
SCHEMBL17679183 0.80
SCHEMBL9133960 0.78 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBSPHK1
SCHEMBL23165485 0.75 ALDH1A1 (0.45) ALDH1A1EPHX1SPHK1SPHK2
SCHEMBL8968579 0.74 ALDH1A1 (0.43) ALDH1A1EPHX1TSHRTHRBSPHK1
SCHEMBL13441848 0.74 ALDH1A1 (0.48) ALDH1A1EPHX1TSHRTHRBSPHK1

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-20160102067-A1 OXIRAN AMINES V-BIOTEK HOLDING APS (DK) 2016-04-14 US disclosed
US-20160102067-A1 OXIRAN AMINES V-BIOTEK HOLDING APS (DK) 2016-04-14 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-20160102067-A1 OXIRAN AMINES OXGR1, OTC, OXTR ALDH1A1 571/4885EPHX1 150/4885TSHR 837/4885

“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.