SCHEMBL11033797

SCHEMBL11033797

C=Cc1ccccc1CNCCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.47
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GRIN1 Q05586 4/20 0.44
GRIN2A Q12879 4/20 0.44
BCHE P06276 4/20 0.44
ACHE P22303 4/20 0.44
TP53 P04637 1/20 0.44
CHRM4 P08173 1/20 0.44
CYP3A4 P08684 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
TSHR P16473 1/20 0.44
CHRM3 P20309 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL9779058 0.98 CHRM2 (0.50) CHRM2CA12CA2CA9GRIN1
SCHEMBL10626624 0.98 CHRM2 (0.50) CHRM2CA12CA2CA9GRIN1
SCHEMBL9779329 0.95 CHRM2 (0.45) CHRM2CA12CA2CA9GRIN1
Hydrochloric Acid SCHEMBL8952424 0.94 CHRM2 (0.44) CHRM2CA12CA2CA9GRIN1
Ammonia Solution, Strong SCHEMBL11032131 0.94 CHRM2 (0.44) CHRM2CA12CA2CA9GRIN1
SCHEMBL10628528 0.88 MAOA (0.41) CHRM2CA12CA2CA9GRIN1
SCHEMBL8657512 0.86 SIGMAR1 (0.46) CHRM2GRIN1GRIN2ABCHEACHE
SCHEMBL8780182 0.85 CA12 (0.47) CHRM2CA12CA2CA9GRIN1
SCHEMBL29047009 0.81 CHRM2 (0.42) CHRM2CA12CA2CA9GRIN1
SCHEMBL1111151 0.81 KDM4E (0.47) CHRM2GRIN1GRIN2ABCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0052330-B1 NOVEL RESIN COMPOSITION, COATING MATERIAL COMPRISING SAID RESIN COMPOSITION AND METHOD FOR FORMING COATINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-09-05 EP claimed
US-4447580-A POLYMER CONSISTING OF UNSATD AROMATIC AMINE AND UNSATURATED COMPOUND WITH ELECTRON ATTRACTIVE GROUP ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-05-08 US claimed
EP-0052330-A1 Novel resin composition, coating material comprising said resin composition and method for forming coatings Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP claimed
US-10138307-B2 Antimicrobial polymer Fachhochschule Münster (DE) 2018-11-27 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-20150368380-A1 ANTIMICROBIAL POLYMER Fachhochschule Münster (DE) 2015-12-24 US disclosed
US-20150361259-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTIMICROBIAL EFFECT BASED ON UNSATURATED POLYESTERS Fachhochschule Münster (DE) 2015-12-17 US disclosed
US-20150361277-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTIMICROBIAL EFFECT BASED ON VINYL ESTERS AND VINYL ESTER URETHANES Fachhochschule Münster (DE) 2015-12-17 US disclosed
EP-0052330-B1 NOVEL RESIN COMPOSITION, COATING MATERIAL COMPRISING SAID RESIN COMPOSITION AND METHOD FOR FORMING COATINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-09-05 EP disclosed
US-4447580-A POLYMER CONSISTING OF UNSATD AROMATIC AMINE AND UNSATURATED COMPOUND WITH ELECTRON ATTRACTIVE GROUP ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-05-08 US disclosed
EP-0052330-A1 Novel resin composition, coating material comprising said resin composition and method for forming coatings Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP 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-10138307-B2 Antimicrobial polymer PUF60, PARG, DPM1 CHRM2 4870/4885CA12 4831/4885CA2 4686/4885
US-20150361259-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTIMICROBIAL EFFECT BASED ON UNSATURATED POLYESTERS PUF60, FASN, ALOX5 CHRM2 4844/4885CA12 4867/4885CA2 4832/4885
US-20150368380-A1 ANTIMICROBIAL POLYMER PUF60, PARG, DPM1 CHRM2 4870/4885CA12 4831/4885CA2 4686/4885
US-20150361277-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTIMICROBIAL EFFECT BASED ON VINYL ESTERS AND VINYL ESTER URETHANES PUF60, UROD, MYD88 CHRM2 4795/4885CA12 4749/4885CA2 4767/4885

“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.