SCHEMBL14475397

SCHEMBL14475397

C=C(C)C(=O)NCCOC(=O)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.55
TSHR P16473 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CHRM1 P11229 1/20 0.55
SLC6A2 P23975 1/20 0.55
KDR P35968 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR1H2 P55055 1/20 0.53
RNASEL Q05823 1/20 0.53
ESR2 Q92731 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50

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
SCHEMBL28470406 0.85 CA12 (0.54) ESR1ALDH1A1LMNAESR2CA12
SCHEMBL6417798 0.84 SERPINE1 (0.44) ESR1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL4541500 0.81 ESR1 (0.62) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL14475395 0.80 MAPT (0.45) ESR1TSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL14354122 0.79 ESR1 (0.55) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL20542232 0.79 MAPT (0.44) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL132567 0.79 ESR1 (0.77) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL20304625 0.79 CA1 (0.44) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL13577806 0.78 ESR1 (0.57) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL17034393 0.78 ESR1 (0.57) ESR1TSHRALDH1A1CHRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469941-B2 Paraben derivatives for preserving cellulosic materials EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2016-10-18 US disclosed
US-20130004785-A1 PARABEN DERIVATIVES FOR PRESERVING CELLULOSIC MATERIALS CRESTLINE DIRECT FINANCE, L.P. 2013-01-03 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-20130004785-A1 PARABEN DERIVATIVES FOR PRESERVING CELLULOSIC MATERIALS CDC73, MGAM, PAXBP1 ESR1 2882/4885TSHR 4831/4885ALDH1A1 2835/4885

“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.