SCHEMBL17845868

SCHEMBL17845868

CCOS(=O)(=O)[O-].CC[n+]1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CHKA P35790 1/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
ACHE P22303 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PSMD14 O00487 1/20 0.31
RECQL P46063 3/20 0.31

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
SCHEMBL3005599 0.85 HTT (0.54) HTTALDH1A1KMT2AMEN1KDM4E
SCHEMBL29251851 0.83 HTT (0.44) HTTALDH1A1KMT2AMEN1CHKA
Sulfuric Acid SCHEMBL21195058 0.83 HTT (0.44) HTTALDH1A1KMT2AMEN1CHKA
SCHEMBL29459670 0.82 LMNA (0.40) ALDH1A1KMT2AKDM4ELMNARAB9A
SCHEMBL193915 0.82 LMNA (0.40) ALDH1A1KMT2AKDM4ELMNARAB9A
Sulfuric Acid SCHEMBL21195059 0.82 HTT (0.42) HTTALDH1A1KMT2AMEN1CHKA
SCHEMBL11758904 0.81 HDAC8 (0.38) HTTALDH1A1KMT2AMEN1KDM4E
SCHEMBL5483736 0.81 HDAC8 (0.38) ALDH1A1KMT2AMEN1KDM4ECA2
SCHEMBL5085627 0.80 KMT2A (0.33) HTTALDH1A1KMT2AMEN1KDM4E
SCHEMBL9865883 0.79 GAA (0.43) HTTALDH1A1KDM4ELMNAGAA

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-20170362349-A1 PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITATOR COVESTRO DEUTSCHLAND AG (DE) 2017-12-21 US disclosed
EP-3234021-A1 PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITIATOR Covestro Deutschland AG (DE) 2017-10-25 EP disclosed
WO-2016096639-A1 PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITIATOR COVESTRO DEUTSCHLAND AG (DE) 2016-06-23 WO disclosed
US-20150166641-A1 Compositions and Methods for the Removal of Biofilms UNIV SOUTHERN CALIFORNIA (US) 2015-06-18 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-20150166641-A1 Compositions and Methods for the Removal of Biofilms FCGR3B, FGB, CD47 HTT 1662/4885ALDH1A1 4423/4885KMT2A 4429/4885

“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.