SCHEMBL15216692

SCHEMBL15216692

CCCCCCCCCCCCCCCC(CC(=O)OCC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.56
F10 P00742 4/20 0.50
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.45
PRSS1 P07477 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
NAAA Q02083 2/20 0.43
FAAH O00519 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4410601 1.00 F2 (0.56) F2F10ALDH1A1TSHRPRSS1
SCHEMBL4405175 1.00 F2 (0.56) F2F10ALDH1A1TSHRPRSS1
SCHEMBL28008718 0.94 F2 (0.58) F2F10ALDH1A1TSHRPRSS1
SCHEMBL4572672 0.92 F2 (0.52) F2F10ALDH1A1TSHRPRSS1
SCHEMBL27974827 0.90 F2 (0.46) F2F10ALDH1A1TSHRPRSS1
SCHEMBL2719599 0.88 F2 (0.61) F2F10ALDH1A1TSHRPRSS1
SCHEMBL7143572 0.87 F2 (0.58) F2F10ALDH1A1TSHRPRSS1
SCHEMBL29012579 0.87 NPC1 (0.52) F2ALDH1A1TSHRNPC1RAB9A
SCHEMBL28267935 0.87 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2NAAA
Hydrochloric Acid SCHEMBL7304105 0.86 F2 (0.57) F2F10ALDH1A1TSHRPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632888-B1 A METHOD TO PREPARE BETA-FUNCTIONALIZED ALIPHATIC ESTERS COGNIS IP MAN GMBH (DE) 2017-08-23 EP disclosed
US-8877958-B2 Method to prepare beta-functionalized aliphatic esters COGNIS IP MANAGEMENT GMBH (DE) 2014-11-04 US disclosed
US-8877958-B2 Method to prepare beta-functionalized aliphatic esters COGNIS IP MANAGEMENT GMBH (DE) 2014-11-04 US disclosed
US-20130225852-A1 Method To Prepare beta-Functionalized Aliphatic Esters COGNIS IP MANAGEMENT GMBH (DE) 2013-08-29 US disclosed
US-20130225852-A1 Method To Prepare beta-Functionalized Aliphatic Esters COGNIS IP MANAGEMENT GMBH (DE) 2013-08-29 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-20130225852-A1 Method To Prepare beta-Functionalized Aliphatic Esters CYP8B1, EBP, DBH F2 3005/4885F10 2760/4885ALDH1A1 327/4885

“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.