SCHEMBL8081850

SCHEMBL8081850

CCCCCC(CCC)c1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
TSHR P16473 3/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
SLC37A4 O43826 1/20 0.43
CNR2 P34972 1/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
PTPN11 Q06124 1/20 0.41
PLK1 P53350 1/20 0.41

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
SCHEMBL30768218 1.00 ALDH1A1 (0.52) ALDH1A1CYSLTR2CYSLTR1KMT2AKDM4E
SCHEMBL8081135 0.98 ALDH1A1 (0.55) ALDH1A1CYSLTR2CYSLTR1KMT2AKDM4E
SCHEMBL8084788 0.98 ALDH1A1 (0.55) ALDH1A1CYSLTR2CYSLTR1KMT2AKDM4E
SCHEMBL10893782 0.98 ALDH1A1 (0.55) ALDH1A1CYSLTR2CYSLTR1KMT2AKDM4E
SCHEMBL8080311 0.98 ALDH1A1 (0.55) ALDH1A1CYSLTR2CYSLTR1KMT2AKDM4E
SCHEMBL8081841 0.98 ALDH1A1 (0.55) ALDH1A1CYSLTR2CYSLTR1KMT2AKDM4E
SCHEMBL8080371 0.98 ALDH1A1 (0.55) ALDH1A1CYSLTR2CYSLTR1KMT2AKDM4E
SCHEMBL11083329 0.97 ALDH1A1 (0.55) ALDH1A1CYSLTR2CYSLTR1KMT2AKDM4E
SCHEMBL7608942 0.95 CYSLTR2 (0.49) ALDH1A1CYSLTR2CYSLTR1KMT2AKDM4E
SCHEMBL6639506 0.95 ALDH1A1 (0.57) ALDH1A1CYSLTR2CYSLTR1KMT2AKDM4E

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
US-20190269784-A1 Selective Inhibitors of the Polo-Like Kinase 1 Polo-Box Domain UNIVERSITY OF SOUTH CAROLINA 2019-09-05 US disclosed
CN-109021982-A Liquid crystal alignment agent, manufacturing method of liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2018-12-18 CN disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 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 (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-20190269784-A1 Selective Inhibitors of the Polo-Like Kinase 1 Polo-Box Domain PLK1, PLK4, PLK2 ALDH1A1 3884/4885CYSLTR2 4686/4885CYSLTR1 4560/4885

“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.