SCHEMBL4631943

SCHEMBL4631943

C=Cc1ccccc1C1(C)NC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 1/20 0.42
▸ ITGA4 P13612 1/20 0.41
▸ AKR1B1 P15121 5/20 0.40
▸ TNKS O95271 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ CACNA1D Q01668 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CACNA1S Q13698 1/20 0.36

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
SCHEMBL15535570 0.75 AKR1B1 (0.49) PTGER3ITGA4AKR1B1TSHRTDP1
SCHEMBL10736336 0.75 TSHR (0.46) PTGER3ITGA4AKR1B1TSHRTDP1
SCHEMBL15535569 0.75 AKR1B1 (0.49) PTGER3ITGA4AKR1B1TSHRTDP1
SCHEMBL12502546 0.75 PTGER3 (0.45) PTGER3ITGA4AKR1B1TNKSTSHR
SCHEMBL542713 0.72 PTGER3 (0.49) PTGER3ITGA4AKR1B1TNKSLMNA
SCHEMBL542982 0.72 KMT2A (0.49) PTGER3ITGA4AKR1B1LMNA
SCHEMBL4631038 0.70 MEN1 (0.48) PTGER3AKR1B1TNKSLMNACACNA1F
SCHEMBL4384462 0.70 ALDH1A1 (0.59) AKR1B1TNKSLMNACACNA1FALDH1A1
SCHEMBL542865 0.70 ALDH1A1 (0.59) AKR1B1TNKSLMNACACNA1FALDH1A1
SCHEMBL4384456 0.70 ALDH1A1 (0.59) AKR1B1TNKSLMNACACNA1FALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423008-B1 HIGHLY CROSSLINKED BIOCIDAL POLYSTYRENE HYDANTOIN PARTICLES UNIV AUBURN (US) 2008-02-13 — — EP disclosed
US-6852312-B2 Biocidal polystyrene hydantoin particles AUBURN UNIVERSITY (US) 2005-02-08 — — US disclosed
EP-1423008-A2 HIGHLY CROSSLINKED BIOCIDAL POLYSTYRENE HYDANTOIN PARTICLES AUBURN UNIVERSITY (US) 2004-06-02 — — EP disclosed
WO-2003053142-A2 HIGHLY CROSSLINKED BIOCIDAL POLYSTYRENE HYDANTOIN PARTICLES AUBURN UNIVERSITY (US) 2003-07-03 — — WO disclosed
US-6548054-B2 Microbiocides, odor absorber AUBURN UNIVERSITY 2003-04-15 — — US disclosed
US-20030044377-A1 Biocidal polystyrene hydantoin particles AUBURN UNIVERSITY 2003-03-06 — — US disclosed
US-20030044378-A1 BIOCIDAL POLYSTYRENE HYDANTOIN PARTICLES AUBURN UNIVERSITY 2003-03-06 — — 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 (2 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-20030044377-A1 Biocidal polystyrene hydantoin particles PIR, HCN3, PNN PTGER3 337/4885ITGA4 2837/4885AKR1B1 1943/4885
US-20030044378-A1 BIOCIDAL POLYSTYRENE HYDANTOIN PARTICLES PIR, HCN3, PNN PTGER3 337/4885ITGA4 2837/4885AKR1B1 1943/4885

“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.

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