SCHEMBL28739964

SCHEMBL28739964

C=CC(=O)OCCCCCCCCCC[N+](CC)(CC)CC

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.66
ALDH1A1 P00352 3/20 0.66
CYP3A4 P08684 1/20 0.66
HPGD P15428 1/20 0.59
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.42
HCAR2 Q8TDS4 2/20 0.41
DNM1 Q05193 4/20 0.41
ATM Q13315 1/20 0.40
CHRNA7 P36544 2/20 0.36
CHRNA10 Q9GZZ6 2/20 0.36
CHRNA9 Q9UGM1 2/20 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
Bromide SCHEMBL17957152 0.98 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10882384 0.93 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
Bromide SCHEMBL130775 0.91 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL2530402 0.91 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24900970 0.90 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL31510116 0.88 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL26571694 0.88 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1263222 0.86 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15253552 0.86 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1476239 0.85 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53

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
WO-2022182713-A1 METHODS OF PHOTOGRAFTING TO SURFACE METAL OXIDES Orthobond Corporation (US) 2022-09-01 WO claimed
US-20220266296-A1 Methods of Photografting to Surface Metal Oxides Orthobond Corporation 2022-08-25 US claimed
US-20230055449-A1 FUNCTIONAL SURFACES ORTHOBOND CORP (US) 2023-02-23 US disclosed
WO-2022182713-A1 METHODS OF PHOTOGRAFTING TO SURFACE METAL OXIDES Orthobond Corporation (US) 2022-09-01 WO disclosed
US-20220266296-A1 Methods of Photografting to Surface Metal Oxides Orthobond Corporation 2022-08-25 US disclosed
EP-3525776-B1 SURFACES WITH OLIGOMERIC OR POLYMERIC ANTIMICROBIALS ORTHOBOND CORP (US) 2022-01-26 EP disclosed
CN-110312507-B Surfaces with oligomeric or polymeric antimicrobial agents 奥索邦德公司 2021-11-23 CN 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-20230055449-A1 FUNCTIONAL SURFACES LPO, SELP, SIGLEC7 TSHR 2514/4885ALDH1A1 3494/4885CYP3A4 1807/4885

“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.