SCHEMBL20427541

SCHEMBL20427541

CCCCCCCCCNCCCCCCCC(C)CCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
ALDH1A1 P00352 1/20 0.62
ACE2 Q9BYF1 1/20 0.50
ADH1B P00325 2/20 0.47
ADH1C P00326 2/20 0.47
ADH1A P07327 2/20 0.47
ADH4 P08319 2/20 0.47
ADH7 P40394 2/20 0.47
S1PR2 O95136 5/20 0.45
S1PR4 O95977 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR5 Q9H228 1/20 0.45
EPHX1 P07099 3/20 0.44
OPRM1 P35372 1/20 0.42
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40

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
SCHEMBL12479972 1.00 TSHR (0.62) TSHRALDH1A1ACE2ADH1BADH1C
SCHEMBL18615410 1.00 TSHR (0.62) TSHRALDH1A1ACE2ADH1BADH1C
SCHEMBL18721219 1.00 TSHR (0.62) TSHRALDH1A1ACE2ADH1BADH1C
SCHEMBL12478863 1.00 TSHR (0.62) TSHRALDH1A1ACE2ADH1BADH1C
SCHEMBL24653400 0.98 TSHR (0.59) TSHRALDH1A1ACE2ADH1BADH1C
SCHEMBL20130405 0.98 TSHR (0.59) TSHRALDH1A1ACE2ADH1BADH1C
SCHEMBL27254703 0.98 ALDH1A1 (0.59) TSHRALDH1A1ACE2ADH1BADH1C
SCHEMBL18521762 0.96 ALDH1A1 (0.56) TSHRALDH1A1ACE2ADH1BADH1C
SCHEMBL21952707 0.96 ALDH1A1 (0.56) TSHRALDH1A1ACE2ADH1BADH1C
SCHEMBL19631077 0.96 ALDH1A1 (0.56) TSHRALDH1A1ACE2ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034835-B2 Crosslinked vaccination composition CRISTAL DELIVERY B.V. (NL) 2018-07-31 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-10034835-B2 Crosslinked vaccination composition CD47, MICA, HLA-DRB1 TSHR 4162/4885ALDH1A1 4771/4885ACE2 2301/4885

“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.