SCHEMBL2360263

SCHEMBL2360263

CCCCCOC(=O)c1cc(O)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
ESR1 P03372 4/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
KDM4E B2RXH2 2/20 0.47
KDM4A O75164 1/20 0.47
KDM4C Q9H3R0 1/20 0.47

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
SCHEMBL13763469 0.99 ESR1 (0.51) TSHRMAPK1CYP3A4TP53ESR1
SCHEMBL15842178 0.95 ESR1 (0.54) TSHRMAPK1CYP3A4TP53ESR1
SCHEMBL13836975 0.84 TSHR (0.49) TSHRMAPK1CYP3A4TP53ESR1
SCHEMBL1236215 0.84 ALDH1A1 (0.55) TSHRMAPK1CYP3A4TP53ESR1
SCHEMBL5778009 0.83 CA12 (0.51) CYP3A4ESR1LMNAALDH1A1CYP1A2
SCHEMBL30234144 0.83 CA12 (0.51) CYP3A4ESR1LMNAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL9520152 0.81 CA12 (0.50) ESR1LMNAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL8924303 0.81 ALDH1A1 (0.48) TSHRMAPK1CYP3A4TP53ESR1
SCHEMBL8924301 0.81 ALDH1A1 (0.48) TSHRMAPK1CYP3A4TP53ESR1
SCHEMBL23189019 0.81 TSHR (0.50) TSHRMAPK1CYP3A4TP53ESR1

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-20120295930-A1 NOVEL PROCESS FOR THE PREPARATION OF CIS-NUCLEOSIDE DERIVATIVE MYLAN LABORATORIES LIMITED (IN) 2012-11-22 US claimed
WO-2011095987-A1 NOVEL PROCESS FOR THE PREPARATION OF CIS-NUCLEOSIDE DERIVATIVE MATRIX LABORATORIES LTD. (IN) 2011-08-11 WO claimed
US-20120295930-A1 NOVEL PROCESS FOR THE PREPARATION OF CIS-NUCLEOSIDE DERIVATIVE MYLAN LABORATORIES LIMITED (IN) 2012-11-22 US disclosed
WO-2011095987-A1 NOVEL PROCESS FOR THE PREPARATION OF CIS-NUCLEOSIDE DERIVATIVE MATRIX LABORATORIES LTD. (IN) 2011-08-11 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-20120295930-A1 NOVEL PROCESS FOR THE PREPARATION OF CIS-NUCLEOSIDE DERIVATIVE DDX1, NSUN2, SLC29A1 TSHR 3024/4885MAPK1 2881/4885CYP3A4 320/4885

“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.