SCHEMBL18211583

SCHEMBL18211583

CNC(C)COCCOCC(C)OCC(C)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
TDP1 Q9NUW8 1/20 0.38
ACACB O00763 5/20 0.35
ACACA Q13085 1/20 0.35
PLA2G2C Q5R387 7/20 0.34

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
SCHEMBL18211586 0.87 TDP1 (0.35) TDP1
SCHEMBL18211577 0.85 TDP1 (0.34) TDP1
SCHEMBL18211584 0.85 LMNA (0.33) TDP1
SCHEMBL18623790 0.85 TDP1 (0.39) TDP1ACACB
SCHEMBL12893242 0.85 TDP1 (0.44) TDP1
SCHEMBL12444635 0.84 MTNR1A (0.39) MTNR1AMTNR1BTDP1ACACBACACA
SCHEMBL18556382 0.84 TDP1 (0.33) TDP1
SCHEMBL15905667 0.79 TDP1 (0.39) MTNR1AMTNR1BTDP1
SCHEMBL13091634 0.75 MTNR1A (0.53) MTNR1AMTNR1BACACBACACAPLA2G2C
SCHEMBL17127036 0.75 TSHR (0.43) TDP1ACACBPLA2G2C

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-10023697-B2 Condensation polymers for antimicrobial applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-07-17 US disclosed
US-20170073471-A1 CONDENSATION POLYMERS FOR ANTIMICROBIAL APPLICATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-03-16 US disclosed
US-9580554-B2 Condensation polymers for antimicrobial applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-02-28 US disclosed
US-20160326319-A1 CONDENSATION POLYMERS FOR ANTIMICROBIAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-11-10 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 (3 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-20160326319-A1 CONDENSATION POLYMERS FOR ANTIMICROBIAL APPLICATIONS PUF60, PARG, PARN MTNR1A 4193/4885MTNR1B 4319/4885TDP1 2628/4885
US-10023697-B2 Condensation polymers for antimicrobial applications PUF60, PARG, PARN MTNR1A 4193/4885MTNR1B 4319/4885TDP1 2628/4885
US-20170073471-A1 CONDENSATION POLYMERS FOR ANTIMICROBIAL APPLICATIONS PUF60, PARG, PARN MTNR1A 4193/4885MTNR1B 4319/4885TDP1 2628/4885

“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.