SCHEMBL19921561

SCHEMBL19921561

CCCCNCCCC(O)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.37
GPR84 Q9NQS5 4/20 0.36
S1PR2 O95136 5/20 0.35
S1PR4 O95977 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
FFAR4 Q5NUL3 1/20 0.35
S1PR5 Q9H228 1/20 0.35
FFAR1 O14842 1/20 0.35
FAAH O00519 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34

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
SCHEMBL19921567 0.93 TSHR (0.56) TSHRALDH1A1GPR84S1PR2S1PR4
SCHEMBL19921565 0.91 PAOX (0.42) TSHRALDH1A1CYP3A4GPR84S1PR2
SCHEMBL7796111 0.84 TSHR (0.44) TSHRALDH1A1CYP3A4GPR84S1PR2
SCHEMBL22053138 0.84 PAOX (0.45) TSHRALDH1A1GPR84S1PR2S1PR4
SCHEMBL27828680 0.84 FFAR4 (0.52) TSHRALDH1A1GPR84S1PR2S1PR4
SCHEMBL19921568 0.84 CYP2C19 (0.48) TSHRALDH1A1MEN1GLACYP2C19
SCHEMBL10348570 0.83 ALDH1A1 (0.54) TSHRALDH1A1GPR84S1PR2S1PR4
SCHEMBL28480327 0.82 TSHR (0.59) TSHRALDH1A1GPR84S1PR2S1PR4
SCHEMBL1289353 0.80 TSHR (0.56) TSHRALDH1A1GPR84S1PR2S1PR4
3-Heptanol SCHEMBL12399 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851390-B2 Reaction of glycoladehyde TAMINCO BVBA 2023-12-26 US disclosed
US-20210139410-A1 REACTION OF GLYCOLADEHYDE TAMINCO BVBA (BE) 2021-05-13 US disclosed
EP-3774717-A1 REACTION OF GLYCOLALDEHYDE TAMINCO BVBA (BE) 2021-02-17 EP disclosed
CN-111971269-A Reaction of glycolaldehyde 塔明克公司 2020-11-20 CN disclosed
EP-3290401-B1 N-SUBSTITUTED ACYCLIC ETHYLENE DIAMINES TAMINCO BVBA (BE) 2020-09-23 EP disclosed
WO-2019193117-A1 REACTION OF GLYCOLALDEHYDE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2019-10-10 WO disclosed
EP-3290401-A1 N-SUBSTITUTED ACYCLIC ETHYLENE DIAMINES Taminco bvba (BE) 2018-03-07 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 (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-11851390-B2 Reaction of glycoladehyde ADH1A, ADH1C, GRHPR TSHR 3008/4885ALDH1A1 26/4885CYP3A4 453/4885
US-20210139410-A1 REACTION OF GLYCOLADEHYDE ADH1A, ADH1C, GRHPR TSHR 3008/4885ALDH1A1 26/4885CYP3A4 453/4885

“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.