SCHEMBL6285002

SCHEMBL6285002

CC(O)Oc1c(Br)cc(Br)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
ALOX12 P18054 5/20 0.40
ALOX15 P16050 5/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
AKR1B1 P15121 1/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 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
SCHEMBL765589 0.81 ALOX12 (0.47) HSD17B10ALOX12ALOX15LMNANPSR1
SCHEMBL1537774 0.81 HSD17B10 (0.39) HSD17B10ALOX12ALOX15LMNANPSR1
SCHEMBL10406340 0.81 THRB (0.38) HSD17B10ALOX15LMNATSHRTHRA
SCHEMBL27623098 0.80 MEN1 (0.36) LMNAGABRA1GABRB1
SCHEMBL25898 0.79 ALDH1A1 (0.50) HSD17B10ALOX12ALOX15TSHRCYP3A4
SCHEMBL484043 0.78 CA1 (0.31) CA2THRATHRB
SCHEMBL10703436 0.77 MEN1 (0.33) LMNATSHRCYP3A4GABRA1GABRB1
SCHEMBL9858387 0.77 HSD17B10 (0.37) HSD17B10ALOX12ALOX15LMNANPSR1
SCHEMBL11056612 0.77 HSD17B10 (0.37) HSD17B10ALOX12LMNANPSR1CYP3A4
SCHEMBL681064 0.77 HSD17B10 (0.38) HSD17B10ALOX12ALOX15LMNANPSR1

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 6 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-4347194-A Polyhydroxyl polyether compounds containing phosphorus THE DOW CHEMICAL CO. (US) 1982-08-31 US disclosed
US-4298709-A FIREPROOFING, AGING RESISTANCE THE DOW CHEMICAL COMPANY (US) 1981-11-03 US disclosed
US-3932181-A Electrophotographic coating compositions having bromine-containing polymer binders NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1976-01-13 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-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions VCL, VIM, CRYAA HSD17B10 3055/4885ALOX12 402/4885ALOX15 273/4885

“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.