SCHEMBL10131420

SCHEMBL10131420

C=Cc1ccc(CNC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LTA4H P09960 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
PARP1 P09874 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 2/20 0.35
ITGB1 P05556 2/20 0.35
ITGA5 P08648 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC2A1 P11166 1/20 0.35
TSHR P16473 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ITGB3 P05106 1/20 0.33

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
Hydrochloric Acid SCHEMBL18229943 0.98 ALDH1A1 (0.42) ALDH1A1LTA4HSIGMAR1PARP1SMN1; SMN2
SCHEMBL17105914 0.87 ALDH1A1 (0.39) ALDH1A1SIGMAR1PARP1SMN1; SMN2TAS1R3
SCHEMBL15921707 0.83 LTA4H (0.42) ALDH1A1LTA4HSIGMAR1SMN1; SMN2TAS1R3
SCHEMBL3271284 0.82 SIGMAR1 (0.48) ALDH1A1LTA4HSIGMAR1PARP1SMN1; SMN2
SCHEMBL15921250 0.81 ALDH1A1 (0.41) ALDH1A1SIGMAR1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL9617576 0.81 LMNA (0.42) ALDH1A1SIGMAR1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL18756244 0.79 LTA4H (0.35) ALDH1A1LTA4HSIGMAR1PARP1SMN1; SMN2
Hydrochloric Acid SCHEMBL7048748 0.79 MEN1 (0.52) ALDH1A1SIGMAR1SMN1; SMN2LMNAMAPK1
SCHEMBL15841457 0.79 ALDH1A1 (0.35) ALDH1A1SIGMAR1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL18461234 0.77 PARP1 (0.38) ALDH1A1LTA4HSIGMAR1PARP1SMN1; SMN2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294447-B1 MOLECULARLY IMPRINTED POLYMERS PHASE HOLOGRAPHIC IMAGING PHI AB (SE) 2023-12-06 EP claimed
US-9783671-B2 Cross-linked plastic material with an intrinsic antimicrobial effect based on unsaturated polyesters Fachhochschule Münster (DE) 2017-10-10 US claimed
EP-4268855-A1 TRANSPLANTATION DEVICE USING CHEMICALLY CROSSLINKED ALGINIC ACID Mochida Pharmaceutical Co., Ltd. (JP) 2023-11-01 EP disclosed
US-9803091-B2 Cross-linked plastic material with an intrinsic antimicrobial effect based on vinyl esters and vinyl ester urethanes Fachhochschule Münster (DE) 2017-10-31 US disclosed
US-9803091-B2 Cross-linked plastic material with an intrinsic antimicrobial effect based on vinyl esters and vinyl ester urethanes Fachhochschule Münster (DE) 2017-10-31 US disclosed
US-9803091-B2 Cross-linked plastic material with an intrinsic antimicrobial effect based on vinyl esters and vinyl ester urethanes Fachhochschule Münster (DE) 2017-10-31 US disclosed
US-9783671-B2 Cross-linked plastic material with an intrinsic antimicrobial effect based on unsaturated polyesters Fachhochschule Münster (DE) 2017-10-10 US disclosed
US-9783671-B2 Cross-linked plastic material with an intrinsic antimicrobial effect based on unsaturated polyesters Fachhochschule Münster (DE) 2017-10-10 US disclosed
US-9783671-B2 Cross-linked plastic material with an intrinsic antimicrobial effect based on unsaturated polyesters Fachhochschule Münster (DE) 2017-10-10 US disclosed
EP-2951245-B1 CROSSLINKED PLASTIC MATERIAL WITH INTRINSIC ANTIMICROBIAL EFFECT ON THE BASIS OF UNSATURATED POLYESTER Fachhochschule Münster (DE) 2017-08-02 EP disclosed
EP-2951245-B1 CROSSLINKED PLASTIC MATERIAL WITH INTRINSIC ANTIMICROBIAL EFFECT ON THE BASIS OF UNSATURATED POLYESTER Fachhochschule Münster (DE) 2017-08-02 EP disclosed
WO-2014118312-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSICALLY ANTIMICROBIAL EFFECT BASED ON VINYL ESTERS AND VINYL ESTER URETHANES Fachhochschule Münster (DE) 2014-08-07 WO disclosed
WO-2014118312-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSICALLY ANTIMICROBIAL EFFECT BASED ON VINYL ESTERS AND VINYL ESTER URETHANES Fachhochschule Münster (DE) 2014-08-07 WO disclosed
WO-2014118314-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTI-MICROBIAL EFFECT BASED ON UNSATURATED POLYESTER Fachhochschule Münster (DE) 2014-08-07 WO disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (4 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885LTA4H 414/4885SIGMAR1 2186/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885LTA4H 414/4885SIGMAR1 2186/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885LTA4H 414/4885SIGMAR1 2186/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885LTA4H 414/4885SIGMAR1 2186/4885

“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.