SCHEMBL8941388

SCHEMBL8941388

C=CC(=O)OC(C)Cl.CCN(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.41
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 2/20 0.31

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
SCHEMBL393935 0.86
SCHEMBL10769092 0.86
SCHEMBL21714651 0.85 TSHR (0.44) TSHRHPGDMEN1POLBKMT2A
Trimethylammonium SCHEMBL936664 0.84 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15841394 0.84
Methylamine SCHEMBL21925184 0.82 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
Dimethylamine SCHEMBL1302845 0.80 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15641106 0.80 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3975171 0.79 TSHR (0.39) TSHRHPGDMEN1POLBKMT2A
SCHEMBL28659892 0.78 SCN1A (0.42) TSHRHPGDKMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298249-B Anion exchange membrane and method for producing same 株式会社亚斯通 2024-07-19 CN disclosed
US-11384172-B2 Polymer, antimicrobial agent, disinfectant, antimicrobial material, disinfectant material, antimicrobial method, and disinfecting method JSR CORPORATION (JP) 2022-07-12 US disclosed
EP-4024096-A1 COMPOSITION, FILM, OPTICAL FILTER AND METHOD FOR PRODUCING SAME, SOLID-STATE IMAGING ELEMENT, INFRARED SENSOR AND SENSOR MODULE FUJIFILM Corporation (JP) 2022-07-06 EP disclosed
US-20220163884-A1 COMPOSITION, FILM, OPTICAL FILTER AND METHOD FOR MANUFACTURING THE SAME, SOLID-STATE IMAGING ELEMENT, INFRARED SENSOR, AND SENSOR MODULE FUJIFILM CORPORATION (JP) 2022-05-26 US disclosed
US-5529877-A Microcapsule toner and processes for preparation of microcapsule and microcapsule toner FUJI XEROX CO., LTD. (JP) 1996-06-25 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 (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-11384172-B2 Polymer, antimicrobial agent, disinfectant, antimicrobial material, disinfectant material, antimicrobial method, and disinfecting method H1-5, DRD5, NRDC TSHR 649/4885HPGD 3475/4885MEN1 3244/4885

“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.