SCHEMBL6280188

SCHEMBL6280188

[CH2]COCCOc1c(Br)cc(Br)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
KLK1 P06870 1/20 0.37
HRH3 Q9Y5N1 3/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.34
THRA P10827 4/20 0.33
THRB P10828 4/20 0.33
MCHR1 Q99705 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9858394 0.87 KMT2A (0.45) KMT2AALDH1A1KLK1HRH3MAPT
SCHEMBL94118 0.85 KLK1 (0.45) KMT2AALDH1A1KLK1HRH3MEN1
SCHEMBL7077771 0.81 KLK1 (0.40) KMT2AKLK1HRH3MEN1KDM4E
SCHEMBL10981293 0.81 KLK1 (0.47) KMT2AALDH1A1KLK1HRH3MAPT
SCHEMBL1045003 0.81 TSHR (0.36) KMT2AALDH1A1KLK1HRH3MAPT
SCHEMBL11519696 0.78 KMT2A (0.47) KMT2AALDH1A1KLK1HRH3MAPT
SCHEMBL9241719 0.78 KLK1 (0.48) KMT2AALDH1A1KLK1HRH3MAPT
SCHEMBL9240974 0.78 KLK1 (0.53) KMT2AALDH1A1KLK1HRH3MEN1
SCHEMBL10781181 0.77 AKR1B1 (0.41) KMT2AALDH1A1KLK1HRH3MEN1
SCHEMBL11450662 0.76 KLK1 (0.57) KMT2AALDH1A1KLK1HRH3MEN1

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
US-6846900-B2 POLYVALENT CARBOXYLIC ACID ESTER, PROCESS FOR PRODUCING THE CARBOXYLIC ACID ESTER, PLASTIC LENS COMPOSITION USING THE CARBOXYLIC ESTER, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K.K. (JP) 2005-01-25 US disclosed
US-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions SHOW A DENKO K.K. (JP) 2003-07-31 US disclosed
WO-2002079140-A1 NOVEL POLYVALENT CARBOXYLIC ACID ESTERS AND THEIR USE IN PLASTIC LENS COMPOSITIONS SHOWA DENKO K. K. (JP) 2002-10-10 WO disclosed
US-5284736-A Thermoplastic polymers with one bromo-substituted monomer plus acrylic carboxyls, amides MITSUBISHI RAYON CO., LTD. (JP) 1994-02-08 US disclosed
EP-0488339-A1 Flame-resistant photo-curable resin composition MITSUBISHI RAYON CO., LTD (JP) 1992-06-03 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 (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-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions VCL, VIM, CRYAA KMT2A 334/4885ALDH1A1 1516/4885KLK1 4416/4885

“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.