SCHEMBL6856685

SCHEMBL6856685

OCCCC1CS[C@H](c2cccc3ccccc23)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALOX12 P18054 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 1/20 0.32
DRD2 P14416 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL6856688 1.00 KDM1A (0.36) KDM1AKDM4EMAPTALDH1A1GAA
SCHEMBL6856078 0.86 SLC6A4 (0.36) KDM1AKDM4EMAPTSLC6A4SLC6A2
SCHEMBL6862831 0.86 KDM1A (0.39) KDM1AKDM4EMAPTSLC6A4SLC6A2
SCHEMBL6860867 0.80 KDM1A (0.39) KDM1AKDM4EMAPTALDH1A1HPGD
SCHEMBL6863117 0.78 THRB (0.36) ALDH1A1HPGDTSHRMTNR1AMTNR1B
SCHEMBL6863118 0.78 THRB (0.36) ALDH1A1HPGDTSHRMTNR1AMTNR1B
SCHEMBL6863128 0.78 CYP1A2 (0.32) MTNR1AMTNR1BCYP1A2CYP2D6CYP2C9
SCHEMBL6863126 0.78 CYP1A2 (0.32) MTNR1AMTNR1BCYP1A2CYP2D6CYP2C9
SCHEMBL6862877 0.78 MTNR1A (0.34) KDM4EMAPTMTNR1AMTNR1B
SCHEMBL6862853 0.78 MTNR1A (0.34) KDM4EMAPTALDH1A1HPGDTSHR

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-6794471-B2 OF A HYDROXYHYDROCARBYL- OR MERCAPTOHYDROCARBYL- DITHIOLANE; CURED OPTICAL ARTICLE FORMED BY PHOTOPOLYMERIZING THE ACRYLATE MITSUI CHEMICALS, INC. (JP) 2004-09-21 US disclosed
EP-1193264-B1 Acrylic ester compound and usage thereof MITSUI CHEMICALS INC (JP) 2004-03-31 EP disclosed
US-20020061995-A1 Acrylic ester compound and usage thereof MITSUI CHEMICALS, INC. (JP) 2002-05-23 US disclosed
EP-1193264-A1 Acrylic ester compound and usage thereof Mitsui Chemicals, Inc. (JP) 2002-04-03 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-20020061995-A1 Acrylic ester compound and usage thereof ASS1, HAT1, EIF2B1 KDM1A 205/4885KDM4E 743/4885MAPT 3869/4885

“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.