SCHEMBL1472666

SCHEMBL1472666

CCCCC(CC)CN(CCCCCCOC(C)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 3/20 0.43
CA2 P00918 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
LMNA P02545 4/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
JAK2 O60674 1/20 0.38
PAX8 Q06710 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL1472391 0.89 PRSS1 (0.36) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL11904607 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL26837455 0.83 ALDH1A1 (0.49) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL1472375 0.82 PPARG (0.44) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL1472532 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL9653053 0.81 RAD52 (0.48) ALDH1A1LMNATSHRNPC1RAB9A
SCHEMBL8438809 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL12238647 0.80 RAD52 (0.45) ALDH1A1LMNATSHRNPC1RAB9A
SCHEMBL11498536 0.80 RAD52 (0.49) ALDH1A1CYP3A4LMNATSHRMAPK1
SCHEMBL12088269 0.79 NPC1 (0.49) ALDH1A1CYP3A4LMNATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915428-B2 Photorefractive dendron compound, photorefractive dendrimer compound, method of preparing the same, photorefractive device using the same, and method of manufacturing the device SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-29 US disclosed
US-7915428-B2 Photorefractive dendron compound, photorefractive dendrimer compound, method of preparing the same, photorefractive device using the same, and method of manufacturing the device SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-29 US disclosed
US-7915428-B2 Photorefractive dendron compound, photorefractive dendrimer compound, method of preparing the same, photorefractive device using the same, and method of manufacturing the device SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-29 US disclosed
US-20090223627-A1 PHOTOREFRACTIVE DENDRON COMPOUND, PHOTOREFRACTIVE DENDRIMER COMPOUND, METHOD OF PREREPARING THE SAME, PHOTOREFRACTIVE DEVICE USING THE SAME, AND METHOD OF MANUFACTURING THE DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-09-10 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-20090223627-A1 PHOTOREFRACTIVE DENDRON COMPOUND, PHOTOREFRACTIVE DENDRIMER COMPOUND, METHOD OF PREREPARING THE SAME, PHOTOREFRACTIVE DEVICE USING THE SAME, AND METHOD OF MANUFACTURING THE DEVICE KISS1R, CROCC, DBN1 ALDH1A1 763/4885CYP3A4 242/4885CA2 3590/4885

“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.