SCHEMBL16053552

SCHEMBL16053552

O=CCCCCC1CCSS1.O=P

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
KMT2A Q03164 2/20 0.54
TARDBP Q13148 2/20 0.54
CYP2C9 P11712 1/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 1/20 0.54
ACHE P22303 1/20 0.54
APEX1 P27695 1/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL8521624 0.96 HSD17B10 (0.58) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL754554 0.96 HSD17B10 (0.58) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL29249729 0.94 HSD17B10 (0.56) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL29249658 0.94 HSD17B10 (0.56) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL29263924 0.82 HSD17B10 (0.67) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL19160682 0.77 HSD17B10 (0.53) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL8516674 0.76 CA12 (0.62) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL16144543 0.75 HSD17B10 (0.51) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL17612125 0.75 HSD17B10 (0.51) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL1516217 0.74 HSD17B10 (0.54) HSD17B10KMT2ATARDBPCYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US disclosed
EP-2970347-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS Dublin City University (IE) 2016-01-20 EP disclosed
WO-2014140353-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2014-09-18 WO 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B HSD17B10 3747/4885KMT2A 111/4885TARDBP 4503/4885

“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.